Run eb_foss-2022b_libxc6_mpi
Failed tests
Groups
-
01-derivatives_1d.01.inp PASS
01-derivatives_1d.02-fortran.inp PASS
02-derivatives_2d.01.inp PASS
03-derivatives_3d.01.inp PASS
03-derivatives_3d.02-non-orthogonal.inp PASS
03-derivatives_3d.02-non-orthogonal_unpacked.inp PASS
04-hartree_3d_cg.01-cg_corrected.inp PASS
05-hartree_3d_fft.01-fft.inp PASS
05-hartree_3d_fft.02-fft_corrected.inp PASS
05-hartree_3d_fft.03-3d_1d_periodic.inp PASS
05-hartree_3d_fft.04-3d_3d_periodic.inp PASS
05-hartree_3d_fft.05-3d_2d_periodic.inp PASS
06-hartree_3d_isf.01-isf.inp PASS
07-cholesky_serial.01-real.inp PASS
07-cholesky_serial.02-complex.inp PASS
07-cholesky_serial.03-parindep.inp PASS
08-gs.01-cgs_real.inp PASS
08-gs.02-cgs_complex.inp PASS
08-gs.03-mgs_real.inp PASS
08-gs.04-mgs_complex.inp PASS
08-gs.05-drcgs_real.inp PASS
08-gs.06-drcgs_complex.inp PASS
10-hartree_pfft.01-fft.inp PASS
10-hartree_pfft.02-fft_corrected.inp PASS
10-hartree_pfft.03-3d_1d_periodic.inp PASS
10-hartree_pfft.04-3d_3d_periodic.inp PASS
10-hartree_pfft.05-3d_2d_periodic.inp PASS
10-hartree_pfft.06-fft-parstates.inp PASS
11-hartree_cl.01-fft.inp PASS
12-hartree_direct_3d.01.inp PASS
13-hartree_3d_mg.01-multigrid.inp PASS
14-center-geom.01-run.inp PASS
15-cholesky_parallel.01-real.inp PASS
15-cholesky_parallel.02-complex.inp PASS
16-hartree_3d_psolver.01-psolver.inp PASS
16-hartree_3d_psolver.02-psolver.inp PASS
17-recipe.inp PASS
18-interpolation.01-1d.inp PASS
18-interpolation.02-2d.inp PASS
18-interpolation.03-3d.inp PASS
19-hgh_soc.01-3d.inp PASS
20-dft_u.01-real_mesh.inp PASS
20-dft_u.02-real_submesh.inp PASS
20-dft_u.03-complex_mesh.inp PASS
20-dft_u.04-complex_submesh.inp PASS
20-dft_u.05-real_mesh_unpacked.inp PASS
20-dft_u.06-real_submesh_unpacked.inp PASS
20-dft_u.07-complex_mesh_unpacked.inp PASS
20-dft_u.08-complex_submesh_unpacked.inp PASS
21-hamiltonian_apply.01-Si.inp PASS
22-density_calc.01-Si.inp PASS
23-exponential_apply.01-jellium.inp PASS
24-boundaries.01-jellium.inp PASS
25-subspace.01-jellium.inp PASS
26-batch_ops.01-jellium.inp PASS
26-batch_ops.02-jellium-complex.inp PASS
26-batch_ops.03-jellium-spinor.inp PASS
27-clock.01.inp PASS
28-cgal.01.inp PASS
29-linear_solver.01-real.inp PASS
30-eigensolver.01.inp PASS
31-grid_interpolation.01.inp PASS
32-hash-tables.01-iihash.inp PASS
32-hash-tables.02-sihash.inp PASS
32-hash-tables.03-sphash.inp PASS
33-mpiwrappers.01-wrappers.inp PASS
34-regridding.01-samespacing-mixed.inp PASS
34-regridding.02-samespacing-parstates.inp PASS
34-regridding.03-samespacing-pardomains.inp PASS
34-regridding.04-spacing-ratio3-mixed.inp PASS
34-regridding.05-spacing-ratio3-parstates.inp PASS
34-regridding.06-spacing-ratio3-pardomains.inp PASS
34-regridding.07-spacing-ratio3-nearestneighbor-mixed.inp PASS
34-regridding.08-spacing-ratio3-nearestneighbor-parstates.inp PASS
34-regridding.09-spacing-ratio3-nearestneighbor-pardomains.inp PASS
35-helmholtz_decom.01-large_box_no_surf_corr.inp PASS
35-helmholtz_decom.02-small_box_no_surf_corr.inp PASS
35-helmholtz_decom.03-parallelepiped_small_box_with_surf_corr.inp PASS
35-helmholtz_decom.04-cylinder_small_box_with_surf_corr.inp PASS
35-helmholtz_decom.05-sphere_small_box_with_surf_corr.inp PASS
36-maxwell_vector_potential.inp PASS
37-current-density.inp PASS
-
01-hydrogen.01-ground_state.inp PASS
01-hydrogen.02-excited_state.inp PASS
01-hydrogen.03-dummy.inp PASS
01-hydrogen.04-absorbing_boundaries.inp PASS
02-neon_mpi.01-ground_state-IP_par_domains.inp PASS
02-neon_mpi.02-ground_state-kli_par_domains.inp PASS
02-neon_mpi.03-td_calc-kli_par_states.inp PASS
03-He-Hartree-Fock.01-gs.inp PASS
04-lithium.01-ground_state.inp PASS
04-lithium.02-absorbing_boundaries.inp PASS
09-morse.01-gs.inp PASS
09-morse.02-unocc.inp PASS
09-morse.03-td.inp PASS
-
01-cosh_2e_1d.01-gs.inp PASS
01-cosh_2e_1d.02-td.inp PASS
01-quadratic_box.01-ground_state.inp PASS
01-quadratic_box.02-hartree.inp PASS
01-quadratic_box.03-hartree+xc.inp PASS
01-quadratic_box.04-spin_polarized.inp PASS
02-fock-darwin.01-ground_state.inp PASS
02-fock-darwin.02-ground_state.inp PASS
02-fock-darwin.03-ground_state.inp PASS
02-fock-darwin.04-ground_state.inp PASS
02-qd_2e_2d.01-gs.inp PASS
02-qd_2e_2d.02-td.inp PASS
03-helium_atom.01-ground_state.inp PASS
03-helium_atom.02-ground_state.inp PASS
04-biot_savart.01-gs.inp PASS
05-spin_precession.01-ground_state.inp PASS
05-spin_precession.02-time_propagation.inp PASS
06-gdlib.01-gs.inp PASS
07-user_def_box.01-gs.inp PASS
08-constrain.01-gs.inp PASS
08-constrain.02-gs_dir.inp PASS
08-constrain.03-polarized.inp PASS
09-magnetic_2d.01-no_field.inp PASS
09-magnetic_2d.02-gs_gauge_xy.inp PASS
09-magnetic_2d.03-gs_gauge_y.inp PASS
-
01-carbon_atom.01-psf_l0.inp PASS
01-carbon_atom.02-psf_l1.inp PASS
01-carbon_atom.03-static_field.inp PASS
01-carbon_atom.04-smear.inp PASS
02-curvilinear_coordinates.01-gygi.inp PASS
03-magnetic.01-gs-unpolarized.inp PASS
03-magnetic.02-td-unpolarized.inp PASS
03-magnetic.03-gs-polarized.inp PASS
03-magnetic.04-td-polarized.inp PASS
03-magnetic.05-gs-spinors.inp PASS
03-magnetic.06-td-spinors.inp PASS
04-ACBN0_isolated.01-H_unpacked.inp PASS
04-ACBN0_isolated.02-H_packed.inp PASS
04-jellium.01-ground_state.inp PASS
05-forces.01-Na2.inp PASS
05-forces.02-Na2_go.inp PASS
05-output.01-gs-set1.inp PASS
05-output.02-gs.inp PASS
05-output.03-convert.inp PASS
05-output.04-convert-op.inp PASS
06-restart.01-gs_mixrho.inp PASS
06-restart.02-restart_gs_mixrho.inp PASS
06-restart.03-gs_mixvhxc.inp PASS
06-restart.04-restart_gs_mixvhxc.inp PASS
06-restart.05-restart_gs.inp PASS
06-restart.06-td_calc.inp PASS
06-restart.07-restart_td_calc.inp PASS
07-spin_orbit_coupling.01-hgh.inp PASS
07-spin_orbit_coupling.02-rkb.inp PASS
08-spin_orbit_coupling_full.01-hgh.inp PASS
08-spin_orbit_coupling_full.02-rkb.inp PASS
08-spin_orbit_coupling_full.03-unocc.inp PASS
09-spinors.01-ground_state.inp PASS
09-spinors.02-rmmdiis.inp PASS
10-fullerene.01-gs.inp PASS
10-intersite.01-Na2.inp PASS
10-intersite.02-silicon.inp PASS
11-full_delta.01-gs.inp PASS
12-forces.01-N2_gs.inp PASS
12-forces.02-N2_gs.inp PASS
12-forces.03-N2_gs.inp PASS
12-intersite_spinors.01-Na2_gs.inp PASS
12-intersite_spinors.02-Na2_td.inp PASS
13-full_potential_hydrogen.01-gs.inp PASS
13-full_potential_hydrogen.02-gs-cg.inp PASS
14-fullerene_unpacked.01-gs.inp PASS
14-fullerene_unpacked.02-td-unpacked.inp PASS
14-fullerene_unpacked.03-td-packed.inp PASS
15-fullerene_stdlcao.01-gs.inp PASS
16-scfinlcao_std.01-gs.inp PASS
17-scfinlcao_alt.01-gs.inp PASS
18-preconditioner_poisson.01-poisson.inp PASS
20-eigensolver.01-cg.inp PASS
20-eigensolver.03-plan.inp PASS
20-eigensolver.04-evolution.inp PASS
20-eigensolver.05-rmmdiis.inp PASS
20-eigensolver.06-rmmdiis-noscalapack.inp PASS
20-eigensolver.07-chebyshev.inp PASS
22-preconditioner.01-none.inp PASS
22-preconditioner.02-filter.inp PASS
22-preconditioner.03-jacobi.inp PASS
22-preconditioner.04-multigrid.inp PASS
22-preconditioner.05-multigrid_rmmdiis.inp PASS
23-go-na2.01-steep.inp PASS
23-go-na2.02-simplex.inp PASS
23-go-na2.03-fire.inp PASS
23-go-na2.04-fire_restart.inp PASS
23-go-na2.05-constrains.inp PASS
24-o2-spin.01-gs.inp PASS
28-carbon_big_box.01-ground_state.inp PASS
29-pcm_chlorine_anion.01-ground_state-n60.inp PASS
29-pcm_chlorine_anion.02-td_prop-n60.inp PASS
29-pcm_chlorine_anion.03-ground_state-n60-poisson.inp PASS
29-pcm_chlorine_anion.04-ground_state-n240.inp PASS
30-local_multipoles.01-gs.inp PASS
30-local_multipoles.02-multipoles.inp PASS
30-local_multipoles.03-multipoles_restart.inp PASS
31-acetylene_b3lyp.01-gs.inp PASS
32-tdpcm_methane.01-ground_state.inp PASS
32-tdpcm_methane.02-td_prop_neq.inp PASS
32-tdpcm_methane.03-td_prop_eom.inp PASS
33-cg.01-orthogonalize_all.inp PASS
33-cg.02-additional_terms.inp PASS
33-cg.03-cg_direction.inp PASS
34-walltime.01-gs_walltime.inp PASS
34-walltime.02-restart_gs.inp PASS
34-walltime.03-td_walltime.inp PASS
34-walltime.04-restart_td.inp PASS
35-slater_x.01-gs.inp PASS
35-slater_x.02-gs_spinors.inp PASS
36-kli_x.01-gs.inp PASS
36-kli_x.02-gs_spinors.inp PASS
37-sternheimer_polarized.01-gs.inp PASS
37-sternheimer_polarized.02-em_resp.inp PASS
38-carbon_atom_cgal_box.01-gs.inp PASS
39-adsic.01-unpolarized.inp PASS
39-adsic.02-polarized.inp PASS
40-evo.01-par_domains.inp PASS
40-evo.02-par_states.inp PASS
41-gpu-bug.01-C.inp PASS
42-full_potential_anc.01-gs.inp PASS
42-full_potential_anc.02-sc-zora.inp PASS
42-full_potential_anc.03-sf-zora.inp PASS
42-full_potential_anc.04-fr-zora.inp PASS
42-full_potential_anc.05-zora-error.inp PASS
-
01-xc_1d.01-wfs-lda.inp PASS
01-xc_1d.02-wfs-hf.inp PASS
01-xc_1d.lda_csc.inp PASS
01-xc_1d.oep_exx.inp PASS
01-xc_1d.oep_kli.inp PASS
02-xc_2d.01-hartree.inp PASS
02-xc_2d.02-hf.inp PASS
02-xc_2d.gga_b86.inp PASS
02-xc_2d.gga_b86_mgc.inp PASS
02-xc_2d.gga_b88.inp PASS
02-xc_2d.gga_pbe.inp PASS
02-xc_2d.lda_amgb.inp PASS
02-xc_2d.lda_prm.inp PASS
03-xc.01-gs.inp PASS
03-xc.b3lyp_fock.inp PASS
03-xc.b3lyp_oep.inp PASS
03-xc.exx.inp PASS
03-xc.fbex.inp PASS
03-xc.gga_c_am05.inp PASS
03-xc.gga_c_lm.inp PASS
03-xc.gga_c_lyp.inp PASS
03-xc.gga_c_p86.inp PASS
03-xc.gga_c_pbe.inp PASS
03-xc.gga_c_pbe_jrgx.inp PASS
03-xc.gga_c_pbe_sol.inp PASS
03-xc.gga_c_pw91.inp PASS
03-xc.gga_c_xpbe.inp PASS
03-xc.gga_x_am05.inp PASS
03-xc.gga_x_b86.inp PASS
03-xc.gga_x_b86_mgc.inp PASS
03-xc.gga_x_b88.inp PASS
03-xc.gga_x_bayesian.inp PASS
03-xc.gga_xc_b97_d.inp PASS
03-xc.gga_xc_edf1.inp PASS
03-xc.gga_xc_hcth_120.inp PASS
03-xc.gga_xc_hcth_147.inp PASS
03-xc.gga_xc_hcth_407.inp PASS
03-xc.gga_xc_hcth_93.inp PASS
03-xc.gga_xc_mpwlyp1w.inp PASS
03-xc.gga_xc_pbe1w.inp PASS
03-xc.gga_xc_pbelyp1w.inp PASS
03-xc.gga_xc_xlyp.inp PASS
03-xc.gga_x_dk87_r1.inp PASS
03-xc.gga_x_dk87_r2.inp PASS
03-xc.gga_x_ft97_a.inp PASS
03-xc.gga_x_ft97_b.inp PASS
03-xc.gga_x_g96.inp PASS
03-xc.gga_x_lb.inp PASS
03-xc.gga_x_lg93.inp PASS
03-xc.gga_x_mpbe.inp PASS
03-xc.gga_x_mpw91.inp PASS
03-xc.gga_x_optb88_vdw.inp PASS
03-xc.gga_x_optpbe_vdw.inp PASS
03-xc.gga_x_optx.inp PASS
03-xc.gga_x_pbea.inp PASS
03-xc.gga_x_pbe.inp PASS
03-xc.gga_x_pbe_jsjr.inp PASS
03-xc.gga_x_pbek1_vdw.inp PASS
03-xc.gga_x_pbe_r.inp PASS
03-xc.gga_x_pbe_sol.inp PASS
03-xc.gga_x_pw86.inp PASS
03-xc.gga_x_pw91.inp PASS
03-xc.gga_x_rpbe.inp PASS
03-xc.gga_x_wc.inp PASS
03-xc.gga_x_xpbe.inp PASS
03-xc.kli.inp PASS
03-xc.lda_c_gl.inp PASS
03-xc.lda_c_hl.inp PASS
03-xc.lda_c_ob_pw.inp PASS
03-xc.lda_c_ob_pz.inp PASS
03-xc.lda_c_pw.inp PASS
03-xc.lda_c_pw_mod.inp PASS
03-xc.lda_c_pz.inp PASS
03-xc.lda_c_pz_mod.inp PASS
03-xc.lda_c_rpa.inp PASS
03-xc.lda_c_vbh.inp PASS
03-xc.lda_c_vwn.inp PASS
03-xc.lda_c_vwn_rpa.inp PASS
03-xc.lda_c_wigner.inp PASS
03-xc.lda_c_xalpha.inp PASS
03-xc.lda_xc_teter93.inp PASS
03-xc.lda_x.inp PASS
03-xc.mvorb_hse06_fock.inp PASS
03-xc.pbe0_fock.inp PASS
03-xc.pbe0_oep.inp PASS
03-xc.sic_pz.inp PASS
03-xc.slater.inp PASS
04-oep.01-jellium-lsda.inp PASS
04-oep.02-jellium-exx_kli.inp PASS
04-oep.03-jellium-full_exx.inp PASS
05-ks_inversion.01-target_density.inp PASS
05-ks_inversion.02-two_particle.inp PASS
05-ks_inversion.03-inversion.inp PASS
06-rdmft.01-ip.inp PASS
06-rdmft.02-gs_basis.inp PASS
06-rdmft.03-gs_grid.inp PASS
07-sic.01-gs.inp PASS
08-vdw_ts.01-gs.inp PASS
09-vdw_ts_sc.01-gs.inp PASS
10-vdw_d3_dna.01-gs_novdw.inp PASS
10-vdw_d3_dna.02-gs_d3.inp PASS
11-vdw_d3.01-gs.inp PASS
12-vdw_solid_c6.01-gs_diamond.inp PASS
12-vdw_solid_c6.02-gs_graphene.inp PASS
13-libvdwxc_h2o.01-vdwdfcx.inp PASS
14-libvdwxc_Be_hcp.01-vdwdfcx.inp PASS
15-oep-CG.01-kli.inp PASS
15-oep-CG.02-oep-dens.inp PASS
16-dressed-rdmft.01-ip.inp PASS
16-dressed-rdmft.02-hf.inp PASS
16-dressed-rdmft.03-rdmft.inp PASS
17-oep-photons.01-kli-spinpolarized.inp PASS
17-oep-photons.02-kli.inp PASS
17-oep-photons.03-oep.inp PASS
18-mgga.01-br89.inp PASS
18-mgga.02-br89_oep.inp PASS
-
01-nio.01-U5-gs.inp PASS
01-nio.02-unocc.inp PASS
02-ACBN0.01-nio.inp PASS
02-ACBN0.02-lif.inp PASS
03-ACBN0_restricted.01-lif.inp PASS
03-ACBN0_restricted.02-lif_unpacked.inp PASS
04-ACBN0_isolated.01-H_unpacked.inp PASS
04-ACBN0_isolated.02-H_packed.inp PASS
05-forces.01-Na2.inp PASS
05-forces.02-Na2_go.inp PASS
06-laser.01-gs.inp PASS
06-laser.02-length_gauge.inp PASS
06-laser.03-velocity_gauge.inp PASS
07-noncollinear.01-U5-gs.inp PASS
07-noncollinear.02-acbn0.inp PASS
08-loewdin.01-Si.inp PASS
08-loewdin.02-intersite.inp PASS
08-loewdin.03-intersite_domains.inp PASS
09-basis_from_states.01-lda.inp PASS
09-basis_from_states.02-acbn0.inp PASS
09-basis_from_states.03-intersite.inp PASS
10-intersite.01-Na2.inp PASS
10-intersite.02-silicon.inp PASS
11-full_delta.01-gs.inp PASS
12-intersite_spinors.01-Na2_gs.inp PASS
12-intersite_spinors.02-Na2_td.inp PASS
-
01-casida.01-gs.inp PASS
01-casida.02-vib_modes.inp PASS
01-casida.03-unocc.inp PASS
01-casida.04-unocc_restart.inp PASS
01-casida.05-casida.inp PASS
01-casida.06-casida_scalapack.inp PASS
01-casida.07-casida_elpa.inp PASS
01-casida.08-casida_restart.inp PASS
01-casida.09-spectrum.inp PASS
02-h2o_pol_lr.01_h2o_gs.inp PASS
02-h2o_pol_lr.02_h2o_dyn_pol.inp PASS
02-h2o_pol_lr.03_h2o_dyn_pol_cmplx.inp PASS
02-h2o_pol_lr.04_h2o_susc.inp PASS
02-h2o_pol_lr.05_h2o_magn_opt.inp PASS
03-vdw_sternheimer.01-ground_state.inp PASS
03-vdw_sternheimer.02-vdw.inp PASS
04-vib_modes.01-ground_state.inp PASS
04-vib_modes.02-vib_modes.inp PASS
04-vib_modes.03-vib_modes_restart.inp PASS
05-polarizability.01-gs.inp PASS
05-polarizability.02-sternheimer.inp PASS
05-polarizability.03-finite-diff.inp PASS
06-vib_modes_fd.01-ground_state.inp PASS
06-vib_modes_fd.01-vib_modes_fd.inp PASS
07-casida-photons.01-gs.inp PASS
07-casida-photons.02-photons.inp PASS
07-casida-photons.03-scalapack.inp PASS
07-casida-photons.04-elpa.inp PASS
07-casida-photons.05-elpa-parother.inp PASS
07-casida-photons.06-spectrum.inp PASS
08-sternheimer-photons.01-gs.inp PASS
08-sternheimer-photons.02-em_resp.inp PASS
-
01-carbon_atom.01-psf_l0.inp PASS
01-carbon_atom.02-psf_l1.inp PASS
01-carbon_atom.03-static_field.inp PASS
01-carbon_atom.04-smear.inp PASS
01-casida.01-gs.inp PASS
01-casida.02-vib_modes.inp PASS
01-casida.03-unocc.inp PASS
01-casida.04-unocc_restart.inp PASS
01-casida.05-casida.inp PASS
01-casida.06-casida_scalapack.inp PASS
01-casida.07-casida_elpa.inp PASS
01-casida.08-casida_restart.inp PASS
01-casida.09-spectrum.inp PASS
01-nio.01-U5-gs.inp PASS
01-nio.02-unocc.inp PASS
01-octopus_basics-getting_started.01-H_atom.inp PASS
01-octopus_basics-getting_started.02-H_atom_spin.inp PASS
01-octopus_basics-getting_started.03-H_atom_independent.inp PASS
01-triclinic.01-spg1.inp PASS
01-triclinic.02-spg2.inp PASS
02-ACBN0.01-nio.inp PASS
02-ACBN0.02-lif.inp PASS
02-cu2_hgh.01_gs.inp PASS
02-cu2_hgh.02_gs_current.inp PASS
02-external-current.01-gaussian_current_pulse.inp PASS
02-external-current.02-gaussian_current_pulse_with_pml.inp PASS
02-external-current.03-gaussian_current_pulse_with_mask.inp PASS
02-external-current.04-gaussian_current_pml_modified_speed_of_light.inp PASS
02-fock-darwin.01-ground_state.inp PASS
02-fock-darwin.02-ground_state.inp PASS
02-fock-darwin.03-ground_state.inp PASS
02-fock-darwin.04-ground_state.inp PASS
02-monoclinic.01-spg3.inp PASS
02-monoclinic.02-spg4.inp PASS
02-monoclinic.03-spg5.inp PASS
02-monoclinic.04-spg6.inp PASS
02-monoclinic.05-spg7.inp PASS
02-monoclinic.06-spg8.inp PASS
02-monoclinic.07-spg9.inp PASS
02-monoclinic.08-spg10.inp PASS
02-monoclinic.09-spg11.inp PASS
02-monoclinic.10-spg12.inp PASS
02-monoclinic.11-spg13.inp PASS
02-monoclinic.12-spg14.inp PASS
02-monoclinic.13-spg15.inp PASS
02-octopus_basics-basic_input_options.01-N_atom.inp PASS
02-qd_2e_2d.01-gs.inp PASS
02-qd_2e_2d.02-td.inp PASS
02-sym_doublewell.01-ground_state.inp PASS
02-sym_doublewell.02-unocc.inp PASS
02-sym_doublewell.03-oct.inp PASS
03-linear-medium.01-cosinoidal_pulse_td.inp PASS
03-linear-medium.02-cosinoidal_pulse_td_pml.inp PASS
03-linear-medium.03-cosinoidal_pulse_td_pml_unpacked.inp PASS
03-localtarget.01-gs.inp PASS
03-localtarget.02-oct.inp PASS
03-localtarget.03-tdoct.inp PASS
03-localtarget.04-gs-mp.inp PASS
03-localtarget.05-oct-mp.inp PASS
03-magnetic.01-gs-unpolarized.inp PASS
03-magnetic.02-td-unpolarized.inp PASS
03-magnetic.03-gs-polarized.inp PASS
03-magnetic.04-td-polarized.inp PASS
03-magnetic.05-gs-spinors.inp PASS
03-magnetic.06-td-spinors.inp PASS
03-octopus_basics-total_energy_convergence.01-N_atom.inp PASS
03-octopus_basics-total_energy_convergence.02-methane.inp PASS
03-orthorombic.01-spg16.inp PASS
03-orthorombic.02-spg17.inp PASS
03-orthorombic.03-spg18.inp PASS
03-orthorombic.04-spg19.inp PASS
03-orthorombic.05-spg20.inp PASS
03-orthorombic.06-spg21.inp PASS
03-orthorombic.07-spg22.inp PASS
03-orthorombic.08-spg23.inp PASS
03-orthorombic.09-spg24.inp PASS
03-orthorombic.10-spg25.inp PASS
03-orthorombic.11-spg26.inp PASS
03-orthorombic.12-spg27.inp PASS
03-orthorombic.13-spg28.inp PASS
03-orthorombic.14-spg29.inp PASS
03-orthorombic.15-spg30.inp PASS
03-orthorombic.16-spg31.inp PASS
03-orthorombic.17-spg32.inp PASS
03-orthorombic.18-spg33.inp PASS
03-orthorombic.19-spg34.inp PASS
03-orthorombic.20-spg35.inp PASS
03-orthorombic.21-spg36.inp PASS
03-orthorombic.22-spg37.inp PASS
03-orthorombic.23-spg38.inp PASS
03-orthorombic.24-spg39.inp PASS
03-orthorombic.25-spg40.inp PASS
03-orthorombic.26-spg41.inp PASS
03-orthorombic.27-spg42.inp PASS
03-orthorombic.28-spg43.inp PASS
03-orthorombic.29-spg44.inp PASS
03-orthorombic.30-spg45.inp PASS
03-orthorombic.31-spg46.inp PASS
03-orthorombic.32-spg47.inp PASS
03-orthorombic.33-spg48.inp PASS
03-orthorombic.34-spg49.inp PASS
03-orthorombic.35-spg50.inp PASS
03-orthorombic.36-spg51.inp PASS
03-orthorombic.37-spg52.inp PASS
03-orthorombic.38-spg53.inp PASS
03-orthorombic.39-spg54.inp PASS
03-orthorombic.40-spg55.inp PASS
03-orthorombic.41-spg56.inp PASS
03-orthorombic.42-spg57.inp PASS
03-orthorombic.43-spg58.inp PASS
03-orthorombic.44-spg59.inp PASS
03-orthorombic.45-spg60.inp PASS
03-orthorombic.46-spg61.inp PASS
03-orthorombic.47-spg62.inp PASS
03-orthorombic.48-spg63.inp PASS
03-orthorombic.49-spg64.inp PASS
03-orthorombic.50-spg65.inp PASS
03-orthorombic.51-spg66.inp PASS
03-orthorombic.52-spg67.inp PASS
03-orthorombic.53-spg68.inp PASS
03-orthorombic.54-spg69.inp PASS
03-orthorombic.55-spg70.inp PASS
03-orthorombic.56-spg71.inp PASS
03-orthorombic.57-spg72.inp PASS
03-orthorombic.58-spg73.inp PASS
03-orthorombic.59-spg74.inp PASS
03-sodium_chain.01-ground_state.inp PASS
03-sodium_chain.02-unocc.inp PASS
03-sodium_chain.03-ground_state_disp.inp PASS
03-sodium_chain.04-unocc_disp.inp PASS
03-vdw_sternheimer.01-ground_state.inp PASS
03-vdw_sternheimer.02-vdw.inp PASS
03-xc.01-gs.inp PASS
03-xc.b3lyp_fock.inp PASS
03-xc.b3lyp_oep.inp PASS
03-xc.exx.inp PASS
03-xc.fbex.inp PASS
03-xc.gga_c_am05.inp PASS
03-xc.gga_c_lm.inp PASS
03-xc.gga_c_lyp.inp PASS
03-xc.gga_c_p86.inp PASS
03-xc.gga_c_pbe.inp PASS
03-xc.gga_c_pbe_jrgx.inp PASS
03-xc.gga_c_pbe_sol.inp PASS
03-xc.gga_c_pw91.inp PASS
03-xc.gga_c_xpbe.inp PASS
03-xc.gga_x_am05.inp PASS
03-xc.gga_x_b86.inp PASS
03-xc.gga_x_b86_mgc.inp PASS
03-xc.gga_x_b88.inp PASS
03-xc.gga_x_bayesian.inp PASS
03-xc.gga_xc_b97_d.inp PASS
03-xc.gga_xc_edf1.inp PASS
03-xc.gga_xc_hcth_120.inp PASS
03-xc.gga_xc_hcth_147.inp PASS
03-xc.gga_xc_hcth_407.inp PASS
03-xc.gga_xc_hcth_93.inp PASS
03-xc.gga_xc_mpwlyp1w.inp PASS
03-xc.gga_xc_pbe1w.inp PASS
03-xc.gga_xc_pbelyp1w.inp PASS
03-xc.gga_xc_xlyp.inp PASS
03-xc.gga_x_dk87_r1.inp PASS
03-xc.gga_x_dk87_r2.inp PASS
03-xc.gga_x_ft97_a.inp PASS
03-xc.gga_x_ft97_b.inp PASS
03-xc.gga_x_g96.inp PASS
03-xc.gga_x_lb.inp PASS
03-xc.gga_x_lg93.inp PASS
03-xc.gga_x_mpbe.inp PASS
03-xc.gga_x_mpw91.inp PASS
03-xc.gga_x_optb88_vdw.inp PASS
03-xc.gga_x_optpbe_vdw.inp PASS
03-xc.gga_x_optx.inp PASS
03-xc.gga_x_pbea.inp PASS
03-xc.gga_x_pbe.inp PASS
03-xc.gga_x_pbe_jsjr.inp PASS
03-xc.gga_x_pbek1_vdw.inp PASS
03-xc.gga_x_pbe_r.inp PASS
03-xc.gga_x_pbe_sol.inp PASS
03-xc.gga_x_pw86.inp PASS
03-xc.gga_x_pw91.inp PASS
03-xc.gga_x_rpbe.inp PASS
03-xc.gga_x_wc.inp PASS
03-xc.gga_x_xpbe.inp PASS
03-xc.kli.inp PASS
03-xc.lda_c_gl.inp PASS
03-xc.lda_c_hl.inp PASS
03-xc.lda_c_ob_pw.inp PASS
03-xc.lda_c_ob_pz.inp PASS
03-xc.lda_c_pw.inp PASS
03-xc.lda_c_pw_mod.inp PASS
03-xc.lda_c_pz.inp PASS
03-xc.lda_c_pz_mod.inp PASS
03-xc.lda_c_rpa.inp PASS
03-xc.lda_c_vbh.inp PASS
03-xc.lda_c_vwn.inp PASS
03-xc.lda_c_vwn_rpa.inp PASS
03-xc.lda_c_wigner.inp PASS
03-xc.lda_c_xalpha.inp PASS
03-xc.lda_xc_teter93.inp PASS
03-xc.lda_x.inp PASS
03-xc.mvorb_hse06_fock.inp PASS
03-xc.pbe0_fock.inp PASS
03-xc.pbe0_oep.inp PASS
03-xc.sic_pz.inp PASS
03-xc.slater.inp PASS
04-biot_savart.01-gs.inp PASS
04-box.01-ground_state.inp PASS
04-box.01-ground_state.inp PASS
04-box.02-unocc.inp PASS
04-box.02-unocc.inp PASS
04-box.03-oct_long.inp PASS
04-box.04-oct_long.inp PASS
04-box.05-oct_long.inp PASS
04-box.06-oct_long.inp PASS
04-box.07-oct_long.inp PASS
04-box.08-oct_long.inp PASS
04-carbon_dojo_psml.01-gs.inp PASS
04-jellium.01-ground_state.inp PASS
04-linear-medium-from-file.01-cube_medium_from_file.inp PASS
04-octopus_basics-visualization.01-benzene.inp PASS
04-oep.01-jellium-lsda.inp PASS
04-oep.02-jellium-exx_kli.inp PASS
04-oep.03-jellium-full_exx.inp PASS
04-silicon.01-gs.inp PASS
04-silicon.02-kdotp.inp PASS
04-silicon.03-emresp.inp PASS
04-silicon.05-emresp_magn.inp PASS
04-tetragonal.01-spg75.inp PASS
04-tetragonal.02-spg76.inp PASS
04-tetragonal.03-spg77.inp PASS
04-tetragonal.04-spg78.inp PASS
04-tetragonal.05-spg79.inp PASS
04-tetragonal.06-spg80.inp PASS
04-tetragonal.07-spg81.inp PASS
04-tetragonal.08-spg82.inp PASS
04-tetragonal.09-spg83.inp PASS
04-tetragonal.10-spg84.inp PASS
04-tetragonal.11-spg85.inp PASS
04-tetragonal.12-spg86.inp PASS
04-tetragonal.13-spg87.inp PASS
04-tetragonal.14-spg88.inp PASS
04-tetragonal.15-spg89.inp PASS
04-tetragonal.16-spg90.inp PASS
04-tetragonal.17-spg91.inp PASS
04-tetragonal.18-spg92.inp PASS
04-tetragonal.19-spg93.inp PASS
04-tetragonal.20-spg94.inp PASS
04-tetragonal.21-spg95.inp PASS
04-tetragonal.22-spg96.inp PASS
04-tetragonal.23-spg97.inp PASS
04-tetragonal.24-spg98.inp PASS
04-tetragonal.25-spg99.inp PASS
04-tetragonal.26-spg100.inp PASS
04-tetragonal.27-spg101.inp PASS
04-tetragonal.28-spg102.inp PASS
04-tetragonal.29-spg103.inp PASS
04-tetragonal.30-spg104.inp PASS
04-tetragonal.31-spg105.inp PASS
04-tetragonal.32-spg106.inp PASS
04-tetragonal.33-spg107.inp PASS
04-tetragonal.34-spg108.inp PASS
04-tetragonal.35-spg109.inp PASS
04-tetragonal.36-spg110.inp PASS
04-tetragonal.37-spg111.inp PASS
04-tetragonal.38-spg112.inp PASS
04-tetragonal.39-spg113.inp PASS
04-tetragonal.40-spg114.inp PASS
04-tetragonal.41-spg115.inp PASS
04-tetragonal.42-spg116.inp PASS
04-tetragonal.43-spg117.inp PASS
04-tetragonal.44-spg118.inp PASS
04-tetragonal.45-spg119.inp PASS
04-tetragonal.46-spg120.inp PASS
04-tetragonal.47-spg121.inp PASS
04-tetragonal.48-spg122.inp PASS
04-tetragonal.49-spg123.inp PASS
04-tetragonal.50-spg124.inp PASS
04-tetragonal.51-spg125.inp PASS
04-tetragonal.52-spg126.inp PASS
04-tetragonal.53-spg127.inp PASS
04-tetragonal.54-spg128.inp PASS
04-tetragonal.55-spg129.inp PASS
04-tetragonal.56-spg130.inp PASS
04-tetragonal.57-spg131.inp PASS
04-tetragonal.58-spg132.inp PASS
04-tetragonal.59-spg133.inp PASS
04-tetragonal.60-spg134.inp PASS
04-tetragonal.61-spg135.inp PASS
04-tetragonal.62-spg136.inp PASS
04-tetragonal.63-spg137.inp PASS
04-tetragonal.64-spg138.inp PASS
04-tetragonal.65-spg139.inp PASS
04-tetragonal.66-spg140.inp PASS
04-tetragonal.67-spg141.inp PASS
04-tetragonal.68-spg142.inp PASS
05-adw.01-ground_state.inp PASS
05-adw.02-unocc.inp PASS
05-adw.03-filter_fixed.inp PASS
05-adw.04-filter_indirect.inp PASS
05-carbon_dojo_pbesol.01-gs.inp PASS
05-hartree_3d_fft.01-fft.inp PASS
05-hartree_3d_fft.02-fft_corrected.inp PASS
05-hartree_3d_fft.03-3d_1d_periodic.inp PASS
05-hartree_3d_fft.04-3d_3d_periodic.inp PASS
05-hartree_3d_fft.05-3d_2d_periodic.inp PASS
05-hexagonal.01-spg143.inp PASS
05-hexagonal.02-spg144.inp PASS
05-hexagonal.03-spg145.inp PASS
05-hexagonal.04-spg146.inp PASS
05-hexagonal.05-spg147.inp PASS
05-hexagonal.06-spg148.inp PASS
05-hexagonal.07-spg149.inp PASS
05-hexagonal.08-spg150.inp PASS
05-hexagonal.09-spg151.inp PASS
05-hexagonal.10-spg152.inp PASS
05-hexagonal.11-spg153.inp PASS
05-hexagonal.12-spg154.inp PASS
05-hexagonal.13-spg155.inp PASS
05-hexagonal.14-spg156.inp PASS
05-hexagonal.15-spg157.inp PASS
05-hexagonal.16-spg158.inp PASS
05-hexagonal.17-spg159.inp PASS
05-hexagonal.18-spg160.inp PASS
05-hexagonal.19-spg161.inp PASS
05-hexagonal.20-spg162.inp PASS
05-hexagonal.21-spg163.inp PASS
05-hexagonal.22-spg164.inp PASS
05-hexagonal.23-spg165.inp PASS
05-hexagonal.24-spg166.inp PASS
05-hexagonal.25-spg167.inp PASS
05-hexagonal.26-spg168.inp PASS
05-hexagonal.27-spg169.inp PASS
05-hexagonal.28-spg170.inp PASS
05-hexagonal.29-spg171.inp PASS
05-hexagonal.30-spg172.inp PASS
05-hexagonal.31-spg173.inp PASS
05-hexagonal.32-spg174.inp PASS
05-hexagonal.33-spg175.inp PASS
05-hexagonal.34-spg176.inp PASS
05-hexagonal.35-spg177.inp PASS
05-hexagonal.36-spg178.inp PASS
05-hexagonal.37-spg179.inp PASS
05-hexagonal.38-spg180.inp PASS
05-hexagonal.39-spg181.inp PASS
05-hexagonal.40-spg182.inp PASS
05-hexagonal.41-spg183.inp PASS
05-hexagonal.42-spg184.inp PASS
05-hexagonal.43-spg185.inp PASS
05-hexagonal.44-spg186.inp PASS
05-hexagonal.45-spg187.inp PASS
05-hexagonal.46-spg188.inp PASS
05-hexagonal.47-spg189.inp PASS
05-hexagonal.48-spg190.inp PASS
05-hexagonal.49-spg191.inp PASS
05-hexagonal.50-spg192.inp PASS
05-hexagonal.51-spg193.inp PASS
05-hexagonal.52-spg194.inp PASS
05-octopus_basics-centering_a_geometry.01-tAB.inp PASS
05-pfft.01-gs.inp PASS
05-pfft.02-mask.inp PASS
05-pfft.03-ba.inp PASS
05-plane_waves.01-pulse_pml.inp PASS
05-polarizability.01-gs.inp PASS
05-polarizability.02-sternheimer.inp PASS
05-polarizability.03-finite-diff.inp PASS
05-time_propagation.01-gs.inp PASS
05-time_propagation.02-td_domains.inp PASS
05-time_propagation.03-td_domains_states.inp PASS
05-time_propagation.04-td_domains_states-reorder_ranks.inp PASS
05-time_propagation.05-td_md.inp PASS
05-time_propagation.06-td_fast_md.inp PASS
06-2D.01-Na_gs.inp PASS
06-2D.02-Na_few_cy.inp PASS
06-cubic.01-spg195.inp PASS
06-cubic.02-spg196.inp PASS
06-cubic.03-spg197.inp PASS
06-cubic.04-spg198.inp PASS
06-cubic.05-spg199.inp PASS
06-cubic.06-spg200.inp PASS
06-cubic.07-spg201.inp PASS
06-cubic.08-spg202.inp PASS
06-cubic.09-spg203.inp PASS
06-cubic.10-spg204.inp PASS
06-cubic.11-spg205.inp PASS
06-cubic.12-spg206.inp PASS
06-cubic.13-spg207.inp PASS
06-cubic.14-spg208.inp PASS
06-cubic.15-spg209.inp PASS
06-cubic.16-spg210.inp PASS
06-cubic.17-spg211.inp PASS
06-cubic.18-spg212.inp PASS
06-cubic.19-spg213.inp PASS
06-cubic.20-spg214.inp PASS
06-cubic.21-spg215.inp PASS
06-cubic.22-spg216.inp PASS
06-cubic.23-spg217.inp PASS
06-cubic.24-spg218.inp PASS
06-cubic.25-spg219.inp PASS
06-cubic.26-spg220.inp PASS
06-cubic.27-spg221.inp PASS
06-cubic.28-spg222.inp PASS
06-cubic.29-spg223.inp PASS
06-cubic.30-spg224.inp PASS
06-cubic.31-spg225.inp PASS
06-cubic.32-spg226.inp PASS
06-cubic.33-spg227.inp PASS
06-cubic.34-spg228.inp PASS
06-cubic.35-spg229.inp PASS
06-cubic.36-spg230.inp PASS
06-h2o_pol_lr.01_gs.inp PASS
06-h2o_pol_lr.02_kdotp.inp PASS
06-h2o_pol_lr.03_emresp.inp PASS
06-h2o_pol_lr.04_emresp_mo.inp PASS
06-h2o_pol_lr.05_emresp_susc.inp PASS
06-octopus_basics-periodic_systems.01-silicon.inp PASS
06-octopus_basics-periodic_systems.02-silicon_converged.inp PASS
06-octopus_basics-periodic_systems.03-bandstructure.inp PASS
06-rdmft.01-ip.inp PASS
06-rdmft.02-gs_basis.inp PASS
06-rdmft.03-gs_grid.inp PASS
06-vib_modes_fd.01-ground_state.inp PASS
06-vib_modes_fd.01-vib_modes_fd.inp PASS
06-zbr98.01-ground_state.inp PASS
06-zbr98.02-oct.inp PASS
07-carbon_dojo_lda.01-gs.inp PASS
07-mgga.01-tb09_gs_symm.inp PASS
07-mgga.02-tb09_gs_nosymm.inp PASS
07-mgga.03-tb09_td.inp PASS
07-mgga.04-br89_gs.inp PASS
07-mgga.05-br89_primitive.inp PASS
07-noncollinear.01-U5-gs.inp PASS
07-noncollinear.02-acbn0.inp PASS
07-octopus_basics-time_dependent_propagation.01-gs.inp PASS
07-octopus_basics-time_dependent_propagation.02-td.inp PASS
07-octopus_basics-time_dependent_propagation.03-td_laser.inp PASS
07-qoct+tddft.01-ground_state.inp PASS
07-qoct+tddft.02-oct.inp PASS
07-sic.01-gs.inp PASS
07-symmetrization_lda.01-spg2_sym.inp PASS
07-symmetrization_lda.02-spg16_sym.inp PASS
07-symmetrization_lda.03-spg75_sym.inp PASS
08-carbon_fhi.01-gs.inp PASS
08-gs.01-cgs_real.inp PASS
08-gs.02-cgs_complex.inp PASS
08-gs.03-mgs_real.inp PASS
08-gs.04-mgs_complex.inp PASS
08-gs.05-drcgs_real.inp PASS
08-gs.06-drcgs_complex.inp PASS
08-loewdin.01-Si.inp PASS
08-loewdin.02-intersite.inp PASS
08-loewdin.03-intersite_domains.inp PASS
08-spin_orbit_coupling_full.01-hgh.inp PASS
08-spin_orbit_coupling_full.02-rkb.inp PASS
08-spin_orbit_coupling_full.03-unocc.inp PASS
08-symmetrization_mgga.01-spg3_sym.inp PASS
08-vdw_ts.01-gs.inp PASS
08-velocities.01-ground_state.inp PASS
08-velocities.02-oct.inp PASS
09-angular_momentum.01-gs.inp PASS
09-angular_momentum.02-td_gipaw.inp PASS
09-angular_momentum.03-td_icl.inp PASS
09-angular_momentum.04-rotatory_strength.inp PASS
09-basis_from_states.01-lda.inp PASS
09-basis_from_states.02-acbn0.inp PASS
09-basis_from_states.03-intersite.inp PASS
09-carbon_cpi.01-gs.inp PASS
09-density+current.01-ground_state.inp PASS
09-density+current.02-oct.inp PASS
09-density+current.03-tdoct.inp PASS
09-drude-medium-from-file.01-gold-np.inp PASS
09-drude-medium-from-file.02-gold-np-part-one.inp PASS
09-drude-medium-from-file.03-gold-np-part-two.inp PASS
09-drude-medium-from-file.04-gold-np-external-source.inp PASS
09-etsf_io.01-gs.inp PASS
09-flux_3d.01-Na_gs_sph.inp PASS
09-flux_3d.02-Na_td_sph.inp PASS
09-flux_3d.03-Na_gs_cub.inp PASS
09-flux_3d.04-Na_td_cub.inp PASS
09-symmetrization_gga.01-spg143_nosym.inp PASS
09-symmetrization_gga.02-spg143_sym.inp PASS
10-berkeleygw.01-gs.inp PASS
10-berkeleygw.02-unocc.inp PASS
10-current.01-ground_state.inp PASS
10-current.02-oct.inp PASS
10-current-to-maxwell.01-all-forces-non-self-consistent.inp PASS
10-fullerene.01-gs.inp PASS
10-vdw_d3_dna.01-gs_novdw.inp PASS
10-vdw_d3_dna.02-gs_d3.inp PASS
11-leapfrog.01-fullrun.inp PASS
11-leapfrog.02-pml_fullrun.inp PASS
11-leapfrog.03-pml_medium_fullrun.inp PASS
11-leapfrog.04-pml_medium_restart_part1.inp PASS
11-leapfrog.05-pml_medium_restart_part2.inp PASS
11-tdmagnetic.01-gs.inp PASS
11-tdmagnetic.02-unocc.inp PASS
11-tdmagnetic.03-td.inp PASS
12-hartree_direct_3d.01.inp PASS
12-spintarget.01-ground_state.inp PASS
12-spintarget.02-oct.inp PASS
12-spm_3d.01-Na_gs.inp PASS
12-spm_3d.02-Na_td.inp PASS
12-tddft-currents-to-maxwell.01-benzene-gs.inp PASS
12-tddft-currents-to-maxwell.02-benzene-mxll-td-length-gauge.inp PASS
12-tddft-currents-to-maxwell.03-benzene-mxll-td-veloc-gauge.inp PASS
12-tddft-currents-to-maxwell.04-benzene-mxll-td-full-min-coup.inp PASS
12-tddft-currents-to-maxwell.05-benzene-extsource-td-veloc-gauge.inp PASS
12-tddft-currents-to-maxwell.06-benzene-dipole-and-quadrupole.inp PASS
12-vdw_solid_c6.01-gs_diamond.inp PASS
12-vdw_solid_c6.02-gs_graphene.inp PASS
13-absorption-spin.01-gs.inp PASS
13-absorption-spin.02-td.inp PASS
13-absorption-spin.03-td-restart.inp PASS
13-absorption-spin.04-spectrum.inp PASS
13-absorption-spin.05-spectrum_compressed_sensing.inp PASS
13-absorption-spin.06-td_spinkick.inp PASS
13-absorption-spin.07-spectrum_triplet.inp PASS
13-arpes_2d.01-gs.inp PASS
13-arpes_2d.02-td.inp PASS
13-arpes_2d.03-restart.inp PASS
13-arpes_2d.04-spectrum.inp PASS
13-box-nlopt.03-bobyqa.inp PASS
13-box-nlopt.04-lbfgs.inp PASS
13-extsource-bessel.01-carbon-gs.inp PASS
13-extsource-bessel.02-carbon-td.inp PASS
13-extsource-bessel.03-enveloped-shifted-bessel.inp PASS
13-primitive.01-diamond.inp PASS
13-primitive.02-graphene.inp PASS
13-primitive.03-bcc_iron.inp PASS
13-U235.01-gs.inp PASS
14-absorption-spinors.01-gs.inp PASS
14-absorption-spinors.02-td.inp PASS
14-absorption-spinors.03-td-restart.inp PASS
14-absorption-spinors.04-spectrum.inp PASS
14-absorption-spinors.05-spectrum_compressed_sensing.inp PASS
14-carbon_dojo_psp8.01-gs.inp PASS
14-fullerene_unpacked.01-gs.inp PASS
14-fullerene_unpacked.02-td-unpacked.inp PASS
14-fullerene_unpacked.03-td-packed.inp PASS
14-silicon_shifts.01-gs.inp PASS
14-silicon_shifts.02-td.inp PASS
14-silicon_shifts.03-td_parstates.inp PASS
14-silicon_shifts.04-delayed_kick.inp PASS
14-silicon_shifts.05-dielectric_function.inp PASS
15-bandstructure.01-gs.inp PASS
15-bandstructure.02-unocc.inp PASS
15-bandstructure.03-wannier90_setup.inp PASS
15-bandstructure.04-wannier90_output.inp PASS
15-bandstructure.05-wannier90_states.inp PASS
15-fullerene_stdlcao.01-gs.inp PASS
16-scfinlcao_std.01-gs.inp PASS
16-sodium_chain_cylinder.01-ground_state.inp PASS
16-sodium_chain_cylinder.02-unocc.inp PASS
16-sodium_chain_cylinder.03-ground_state_disp.inp PASS
16-sodium_chain_cylinder.04-unocc_disp.inp PASS
17-aluminium.01-gs.inp PASS
17-aluminium.02-td.inp PASS
17-aluminium.03-conductivity.inp PASS
17-hgh_occupations.01-W.inp PASS
17-hgh_occupations.02-Au.inp PASS
17-hgh_occupations.03-W_sc.inp PASS
17-hgh_occupations.04-Au_sc.inp PASS
17-scfinlcao_alt.01-gs.inp PASS
18-Bi_pseudodojo_fr.01-gs.inp FAIL
18-preconditioner_poisson.01-poisson.inp PASS
18-TiO2.01-gs.inp PASS
19-td_move_ions.01-gs.inp PASS
19-td_move_ions.02-td.inp PASS
19-td_move_ions.03-td_restart.inp PASS
19-unfolding.01-gs.inp PASS
19-unfolding.02-setup.inp PASS
19-unfolding.03-unocc.inp PASS
19-unfolding.04-run.inp PASS
20-masked_periodic_boundaries.01-graphene.inp PASS
20-pcm-local-field-absorption.01-gs.inp PASS
20-pcm-local-field-absorption.02-td_prop_eom.inp PASS
21-magnon.01-gs.inp PASS
21-magnon.02-td.inp PASS
21-magnon.03-susceptibility.inp PASS
22-berry.01-cubic_Si_gs.inp PASS
22-berry.02-cubic_Si.inp PASS
22-td_move_ions_periodic.01-gs.inp PASS
22-td_move_ions_periodic.02-td.inp PASS
23-go-na2.01-steep.inp PASS
23-go-na2.02-simplex.inp PASS
23-go-na2.03-fire.inp PASS
23-go-na2.04-fire_restart.inp PASS
23-go-na2.05-constrains.inp PASS
25-Fe_polarized.01-gs.inp PASS
25-Fe_polarized.02-setup.inp PASS
25-Fe_polarized.03-unocc.inp PASS
25-Fe_polarized.04-unfold.inp PASS
27-Ar.01-gs.inp PASS
27-Ar.02-kdotp.inp PASS
27-Ar.03-em_resp_mo.inp PASS
28-mgga_kli.01-Si_scan.inp PASS
29-pcm_chlorine_anion.01-ground_state-n60.inp PASS
29-pcm_chlorine_anion.02-td_prop-n60.inp PASS
29-pcm_chlorine_anion.03-ground_state-n60-poisson.inp PASS
29-pcm_chlorine_anion.04-ground_state-n240.inp PASS
29-soc_solids.01-gs.inp PASS
31-acetylene_b3lyp.01-gs.inp PASS
32-tdpcm_methane.01-ground_state.inp PASS
32-tdpcm_methane.02-td_prop_neq.inp PASS
32-tdpcm_methane.03-td_prop_eom.inp PASS
34-walltime.01-gs_walltime.inp PASS
34-walltime.02-restart_gs.inp PASS
34-walltime.03-td_walltime.inp PASS
34-walltime.04-restart_td.inp PASS
35-slater_x.01-gs.inp PASS
35-slater_x.02-gs_spinors.inp PASS
36-kli_x.01-gs.inp PASS
36-kli_x.02-gs_spinors.inp PASS
38-carbon_atom_cgal_box.01-gs.inp PASS
41-gpu-bug.01-C.inp PASS
42-full_potential_anc.01-gs.inp PASS
42-full_potential_anc.02-sc-zora.inp PASS
42-full_potential_anc.03-sf-zora.inp PASS
42-full_potential_anc.04-fr-zora.inp PASS
42-full_potential_anc.05-zora-error.inp PASS
-
01-free-propagation.01-1_pulse_td.inp PASS
01-free-propagation.02-2_pulses_td.inp PASS
02-external-current.01-gaussian_current_pulse.inp PASS
02-external-current.02-gaussian_current_pulse_with_pml.inp PASS
02-external-current.03-gaussian_current_pulse_with_mask.inp PASS
02-external-current.04-gaussian_current_pml_modified_speed_of_light.inp PASS
03-linear-medium.01-cosinoidal_pulse_td.inp PASS
03-linear-medium.02-cosinoidal_pulse_td_pml.inp PASS
03-linear-medium.03-cosinoidal_pulse_td_pml_unpacked.inp PASS
04-linear-medium-from-file.01-cube_medium_from_file.inp PASS
05-plane_waves.01-pulse_pml.inp PASS
06-circular-polarization.01-1_puse_circ_pol.inp PASS
07-mode-resolved-maxwell-ks-propagation.01-1D-Helium-ground-state.inp PASS
07-mode-resolved-maxwell-ks-propagation.02-kick-of-the-electronic-subsystem.inp PASS
08-restart-maxwell.01-free-propagation_fromscratch.inp PASS
08-restart-maxwell.01-free-propagation_restarted.inp PASS
08-restart-maxwell.02-external-current-pml_fromscratch.inp PASS
08-restart-maxwell.02-external-current-pml_restarted.inp PASS
08-restart-maxwell.03-linear-medium_fromscratch.inp PASS
08-restart-maxwell.03-linear-medium_restarted.inp PASS
09-drude-medium-from-file.01-gold-np.inp PASS
09-drude-medium-from-file.02-gold-np-part-one.inp PASS
09-drude-medium-from-file.03-gold-np-part-two.inp PASS
09-drude-medium-from-file.04-gold-np-external-source.inp PASS
10-current-to-maxwell.01-all-forces-non-self-consistent.inp PASS
11-leapfrog.01-fullrun.inp PASS
11-leapfrog.02-pml_fullrun.inp PASS
11-leapfrog.03-pml_medium_fullrun.inp PASS
11-leapfrog.04-pml_medium_restart_part1.inp PASS
11-leapfrog.05-pml_medium_restart_part2.inp PASS
12-tddft-currents-to-maxwell.01-benzene-gs.inp PASS
12-tddft-currents-to-maxwell.02-benzene-mxll-td-length-gauge.inp PASS
12-tddft-currents-to-maxwell.03-benzene-mxll-td-veloc-gauge.inp PASS
12-tddft-currents-to-maxwell.04-benzene-mxll-td-full-min-coup.inp PASS
12-tddft-currents-to-maxwell.05-benzene-extsource-td-veloc-gauge.inp PASS
12-tddft-currents-to-maxwell.06-benzene-dipole-and-quadrupole.inp PASS
13-extsource-bessel.01-carbon-gs.inp PASS
13-extsource-bessel.02-carbon-td.inp PASS
13-extsource-bessel.03-enveloped-shifted-bessel.inp PASS
14-quadrupole-pot.01-hydrogen-gs.inp PASS
-
01-nested_systems.01-two_levels.inp PASS
01-nested_systems.02-three_levels.inp PASS
01-nested_systems.03-four_levels.inp PASS
02-interaction_graph.01-three_body.inp PASS
03-interactions_creation.01-case1.inp PASS
03-interactions_creation.02-case2.inp PASS
03-interactions_creation.03-case3.inp PASS
03-interactions_creation.04-case4.inp PASS
04-propagation_verlet.01-two_body.inp PASS
04-propagation_verlet.02-three_body.inp PASS
04-propagation_verlet.03-two_body_different_time_steps.inp PASS
04-propagation_verlet.04-three_body_different_time_steps.inp PASS
05-propagation_beeman.01-two_body.inp PASS
05-propagation_beeman.02-three_body.inp PASS
05-propagation_beeman.03-two_body_different_time_steps.inp PASS
05-propagation_beeman.04-three_body_different_time_steps.inp PASS
06-propagation_expmid.01-two_body.inp PASS
06-propagation_expmid.02-three_body.inp PASS
06-propagation_expmid.03-two_body_different_time_steps.inp PASS
06-propagation_expmid.04-three_body_different_time_steps.inp PASS
06-propagation_expmid.05-two_body_verlet_half.inp PASS
06-propagation_expmid.06-two_body_verlet.inp PASS
07-lorentz-force.01-charged_particle_coupled_to_maxwell.inp PASS
07-lorentz-force.02-charged_particle_in_static_efield.inp PASS
07-lorentz-force.03-charged_particle_illegal_propagator.inp PASS
08-coulomb_force.01-classical_helium.inp PASS
09-illegal_system_names.01-duplicated.inp PASS
09-illegal_system_names.02-empty.inp PASS
09-illegal_system_names.03-illegal_character.inp PASS
09-illegal_system_names.04-white_space.inp PASS
10-dftbplus_verlet.01-water.inp PASS
11-dftbplus_ehrenfest.01-benzene.inp PASS
13-restart_verlet.01-restart-run-part1.inp PASS
13-restart_verlet.02-restart-run-part2.inp PASS
13-restart_verlet.03-full-run.inp PASS
14-lennard-jones.01-classical-particles-N2.inp PASS
17-lasers.01-length_gauge.inp PASS
18-incompatible_timing.01-run.inp PASS
-
01-asym_doublewell.01-ground_state.inp PASS
01-asym_doublewell.02-unocc.inp PASS
01-asym_doublewell.03-oct_run.inp PASS
01-asym_doublewell.04-oct_run.inp PASS
01-asym_doublewell.05-oct_run.inp PASS
02-sym_doublewell.01-ground_state.inp PASS
02-sym_doublewell.02-unocc.inp PASS
02-sym_doublewell.03-oct.inp PASS
03-localtarget.01-gs.inp PASS
03-localtarget.02-oct.inp PASS
03-localtarget.03-tdoct.inp PASS
03-localtarget.04-gs-mp.inp PASS
03-localtarget.05-oct-mp.inp PASS
04-box.01-ground_state.inp PASS
04-box.01-ground_state.inp PASS
04-box.02-unocc.inp PASS
04-box.02-unocc.inp PASS
04-box.03-oct_long.inp PASS
04-box.04-oct_long.inp PASS
04-box.05-oct_long.inp PASS
04-box.06-oct_long.inp PASS
04-box.07-oct_long.inp PASS
04-box.08-oct_long.inp PASS
05-adw.01-ground_state.inp PASS
05-adw.02-unocc.inp PASS
05-adw.03-filter_fixed.inp PASS
05-adw.04-filter_indirect.inp PASS
06-zbr98.01-ground_state.inp PASS
06-zbr98.02-oct.inp PASS
07-qoct+tddft.01-ground_state.inp PASS
07-qoct+tddft.02-oct.inp PASS
08-velocities.01-ground_state.inp PASS
08-velocities.02-oct.inp PASS
09-density+current.01-ground_state.inp PASS
09-density+current.02-oct.inp PASS
09-density+current.03-tdoct.inp PASS
10-current.01-ground_state.inp PASS
10-current.02-oct.inp PASS
11-classical.01-ground_state.inp PASS
11-classical.02-oct.inp PASS
11-classical.03-oct_taylor.inp PASS
12-spintarget.01-ground_state.inp PASS
12-spintarget.02-oct.inp PASS
13-box-nlopt.03-bobyqa.inp PASS
13-box-nlopt.04-lbfgs.inp PASS
-
01-free_electrons.01-ground_state.inp PASS
01-free_electrons.02-unocc.inp PASS
01-nio.01-U5-gs.inp PASS
01-nio.02-unocc.inp PASS
01-triclinic.01-spg1.inp PASS
01-triclinic.02-spg2.inp PASS
02-ACBN0.01-nio.inp PASS
02-ACBN0.02-lif.inp PASS
02-cosine_potential.01-ground_state.inp PASS
02-cosine_potential.02-unocc.inp PASS
02-monoclinic.01-spg3.inp PASS
02-monoclinic.02-spg4.inp PASS
02-monoclinic.03-spg5.inp PASS
02-monoclinic.04-spg6.inp PASS
02-monoclinic.05-spg7.inp PASS
02-monoclinic.06-spg8.inp PASS
02-monoclinic.07-spg9.inp PASS
02-monoclinic.08-spg10.inp PASS
02-monoclinic.09-spg11.inp PASS
02-monoclinic.10-spg12.inp PASS
02-monoclinic.11-spg13.inp PASS
02-monoclinic.12-spg14.inp PASS
02-monoclinic.13-spg15.inp PASS
03-ACBN0_restricted.01-lif.inp PASS
03-ACBN0_restricted.02-lif_unpacked.inp PASS
03-orthorombic.01-spg16.inp PASS
03-orthorombic.02-spg17.inp PASS
03-orthorombic.03-spg18.inp PASS
03-orthorombic.04-spg19.inp PASS
03-orthorombic.05-spg20.inp PASS
03-orthorombic.06-spg21.inp PASS
03-orthorombic.07-spg22.inp PASS
03-orthorombic.08-spg23.inp PASS
03-orthorombic.09-spg24.inp PASS
03-orthorombic.10-spg25.inp PASS
03-orthorombic.11-spg26.inp PASS
03-orthorombic.12-spg27.inp PASS
03-orthorombic.13-spg28.inp PASS
03-orthorombic.14-spg29.inp PASS
03-orthorombic.15-spg30.inp PASS
03-orthorombic.16-spg31.inp PASS
03-orthorombic.17-spg32.inp PASS
03-orthorombic.18-spg33.inp PASS
03-orthorombic.19-spg34.inp PASS
03-orthorombic.20-spg35.inp PASS
03-orthorombic.21-spg36.inp PASS
03-orthorombic.22-spg37.inp PASS
03-orthorombic.23-spg38.inp PASS
03-orthorombic.24-spg39.inp PASS
03-orthorombic.25-spg40.inp PASS
03-orthorombic.26-spg41.inp PASS
03-orthorombic.27-spg42.inp PASS
03-orthorombic.28-spg43.inp PASS
03-orthorombic.29-spg44.inp PASS
03-orthorombic.30-spg45.inp PASS
03-orthorombic.31-spg46.inp PASS
03-orthorombic.32-spg47.inp PASS
03-orthorombic.33-spg48.inp PASS
03-orthorombic.34-spg49.inp PASS
03-orthorombic.35-spg50.inp PASS
03-orthorombic.36-spg51.inp PASS
03-orthorombic.37-spg52.inp PASS
03-orthorombic.38-spg53.inp PASS
03-orthorombic.39-spg54.inp PASS
03-orthorombic.40-spg55.inp PASS
03-orthorombic.41-spg56.inp PASS
03-orthorombic.42-spg57.inp PASS
03-orthorombic.43-spg58.inp PASS
03-orthorombic.44-spg59.inp PASS
03-orthorombic.45-spg60.inp PASS
03-orthorombic.46-spg61.inp PASS
03-orthorombic.47-spg62.inp PASS
03-orthorombic.48-spg63.inp PASS
03-orthorombic.49-spg64.inp PASS
03-orthorombic.50-spg65.inp PASS
03-orthorombic.51-spg66.inp PASS
03-orthorombic.52-spg67.inp PASS
03-orthorombic.53-spg68.inp PASS
03-orthorombic.54-spg69.inp PASS
03-orthorombic.55-spg70.inp PASS
03-orthorombic.56-spg71.inp PASS
03-orthorombic.57-spg72.inp PASS
03-orthorombic.58-spg73.inp PASS
03-orthorombic.59-spg74.inp PASS
03-sodium_chain.01-ground_state.inp PASS
03-sodium_chain.02-unocc.inp PASS
03-sodium_chain.03-ground_state_disp.inp PASS
03-sodium_chain.04-unocc_disp.inp PASS
04-silicon.01-gs.inp PASS
04-silicon.02-kdotp.inp PASS
04-silicon.03-emresp.inp PASS
04-silicon.05-emresp_magn.inp PASS
04-tetragonal.01-spg75.inp PASS
04-tetragonal.02-spg76.inp PASS
04-tetragonal.03-spg77.inp PASS
04-tetragonal.04-spg78.inp PASS
04-tetragonal.05-spg79.inp PASS
04-tetragonal.06-spg80.inp PASS
04-tetragonal.07-spg81.inp PASS
04-tetragonal.08-spg82.inp PASS
04-tetragonal.09-spg83.inp PASS
04-tetragonal.10-spg84.inp PASS
04-tetragonal.11-spg85.inp PASS
04-tetragonal.12-spg86.inp PASS
04-tetragonal.13-spg87.inp PASS
04-tetragonal.14-spg88.inp PASS
04-tetragonal.15-spg89.inp PASS
04-tetragonal.16-spg90.inp PASS
04-tetragonal.17-spg91.inp PASS
04-tetragonal.18-spg92.inp PASS
04-tetragonal.19-spg93.inp PASS
04-tetragonal.20-spg94.inp PASS
04-tetragonal.21-spg95.inp PASS
04-tetragonal.22-spg96.inp PASS
04-tetragonal.23-spg97.inp PASS
04-tetragonal.24-spg98.inp PASS
04-tetragonal.25-spg99.inp PASS
04-tetragonal.26-spg100.inp PASS
04-tetragonal.27-spg101.inp PASS
04-tetragonal.28-spg102.inp PASS
04-tetragonal.29-spg103.inp PASS
04-tetragonal.30-spg104.inp PASS
04-tetragonal.31-spg105.inp PASS
04-tetragonal.32-spg106.inp PASS
04-tetragonal.33-spg107.inp PASS
04-tetragonal.34-spg108.inp PASS
04-tetragonal.35-spg109.inp PASS
04-tetragonal.36-spg110.inp PASS
04-tetragonal.37-spg111.inp PASS
04-tetragonal.38-spg112.inp PASS
04-tetragonal.39-spg113.inp PASS
04-tetragonal.40-spg114.inp PASS
04-tetragonal.41-spg115.inp PASS
04-tetragonal.42-spg116.inp PASS
04-tetragonal.43-spg117.inp PASS
04-tetragonal.44-spg118.inp PASS
04-tetragonal.45-spg119.inp PASS
04-tetragonal.46-spg120.inp PASS
04-tetragonal.47-spg121.inp PASS
04-tetragonal.48-spg122.inp PASS
04-tetragonal.49-spg123.inp PASS
04-tetragonal.50-spg124.inp PASS
04-tetragonal.51-spg125.inp PASS
04-tetragonal.52-spg126.inp PASS
04-tetragonal.53-spg127.inp PASS
04-tetragonal.54-spg128.inp PASS
04-tetragonal.55-spg129.inp PASS
04-tetragonal.56-spg130.inp PASS
04-tetragonal.57-spg131.inp PASS
04-tetragonal.58-spg132.inp PASS
04-tetragonal.59-spg133.inp PASS
04-tetragonal.60-spg134.inp PASS
04-tetragonal.61-spg135.inp PASS
04-tetragonal.62-spg136.inp PASS
04-tetragonal.63-spg137.inp PASS
04-tetragonal.64-spg138.inp PASS
04-tetragonal.65-spg139.inp PASS
04-tetragonal.66-spg140.inp PASS
04-tetragonal.67-spg141.inp PASS
04-tetragonal.68-spg142.inp PASS
05-hexagonal.01-spg143.inp PASS
05-hexagonal.02-spg144.inp PASS
05-hexagonal.03-spg145.inp PASS
05-hexagonal.04-spg146.inp PASS
05-hexagonal.05-spg147.inp PASS
05-hexagonal.06-spg148.inp PASS
05-hexagonal.07-spg149.inp PASS
05-hexagonal.08-spg150.inp PASS
05-hexagonal.09-spg151.inp PASS
05-hexagonal.10-spg152.inp PASS
05-hexagonal.11-spg153.inp PASS
05-hexagonal.12-spg154.inp PASS
05-hexagonal.13-spg155.inp PASS
05-hexagonal.14-spg156.inp PASS
05-hexagonal.15-spg157.inp PASS
05-hexagonal.16-spg158.inp PASS
05-hexagonal.17-spg159.inp PASS
05-hexagonal.18-spg160.inp PASS
05-hexagonal.19-spg161.inp PASS
05-hexagonal.20-spg162.inp PASS
05-hexagonal.21-spg163.inp PASS
05-hexagonal.22-spg164.inp PASS
05-hexagonal.23-spg165.inp PASS
05-hexagonal.24-spg166.inp PASS
05-hexagonal.25-spg167.inp PASS
05-hexagonal.26-spg168.inp PASS
05-hexagonal.27-spg169.inp PASS
05-hexagonal.28-spg170.inp PASS
05-hexagonal.29-spg171.inp PASS
05-hexagonal.30-spg172.inp PASS
05-hexagonal.31-spg173.inp PASS
05-hexagonal.32-spg174.inp PASS
05-hexagonal.33-spg175.inp PASS
05-hexagonal.34-spg176.inp PASS
05-hexagonal.35-spg177.inp PASS
05-hexagonal.36-spg178.inp PASS
05-hexagonal.37-spg179.inp PASS
05-hexagonal.38-spg180.inp PASS
05-hexagonal.39-spg181.inp PASS
05-hexagonal.40-spg182.inp PASS
05-hexagonal.41-spg183.inp PASS
05-hexagonal.42-spg184.inp PASS
05-hexagonal.43-spg185.inp PASS
05-hexagonal.44-spg186.inp PASS
05-hexagonal.45-spg187.inp PASS
05-hexagonal.46-spg188.inp PASS
05-hexagonal.47-spg189.inp PASS
05-hexagonal.48-spg190.inp PASS
05-hexagonal.49-spg191.inp PASS
05-hexagonal.50-spg192.inp PASS
05-hexagonal.51-spg193.inp PASS
05-hexagonal.52-spg194.inp PASS
05-lithium.01-gs.inp PASS
05-lithium.02-td.inp PASS
05-lithium.03-td-restart.inp PASS
05-lithium.04-dielectric_function.inp PASS
05-lithium.05-tdtdm.inp PASS
06-cubic.01-spg195.inp PASS
06-cubic.02-spg196.inp PASS
06-cubic.03-spg197.inp PASS
06-cubic.04-spg198.inp PASS
06-cubic.05-spg199.inp PASS
06-cubic.06-spg200.inp PASS
06-cubic.07-spg201.inp PASS
06-cubic.08-spg202.inp PASS
06-cubic.09-spg203.inp PASS
06-cubic.10-spg204.inp PASS
06-cubic.11-spg205.inp PASS
06-cubic.12-spg206.inp PASS
06-cubic.13-spg207.inp PASS
06-cubic.14-spg208.inp PASS
06-cubic.15-spg209.inp PASS
06-cubic.16-spg210.inp PASS
06-cubic.17-spg211.inp PASS
06-cubic.18-spg212.inp PASS
06-cubic.19-spg213.inp PASS
06-cubic.20-spg214.inp PASS
06-cubic.21-spg215.inp PASS
06-cubic.22-spg216.inp PASS
06-cubic.23-spg217.inp PASS
06-cubic.24-spg218.inp PASS
06-cubic.25-spg219.inp PASS
06-cubic.26-spg220.inp PASS
06-cubic.27-spg221.inp PASS
06-cubic.28-spg222.inp PASS
06-cubic.29-spg223.inp PASS
06-cubic.30-spg224.inp PASS
06-cubic.31-spg225.inp PASS
06-cubic.32-spg226.inp PASS
06-cubic.33-spg227.inp PASS
06-cubic.34-spg228.inp PASS
06-cubic.35-spg229.inp PASS
06-cubic.36-spg230.inp PASS
06-h2o_pol_lr.01_gs.inp PASS
06-h2o_pol_lr.02_kdotp.inp PASS
06-h2o_pol_lr.03_emresp.inp PASS
06-h2o_pol_lr.04_emresp_mo.inp PASS
06-h2o_pol_lr.05_emresp_susc.inp PASS
07-mgga.01-tb09_gs_symm.inp PASS
07-mgga.02-tb09_gs_nosymm.inp PASS
07-mgga.03-tb09_td.inp PASS
07-mgga.04-br89_gs.inp PASS
07-mgga.05-br89_primitive.inp PASS
07-noncollinear.01-U5-gs.inp PASS
07-noncollinear.02-acbn0.inp PASS
07-symmetrization_lda.01-spg2_sym.inp PASS
07-symmetrization_lda.02-spg16_sym.inp PASS
07-symmetrization_lda.03-spg75_sym.inp PASS
08-benzene_supercell.01-gs.inp PASS
08-loewdin.01-Si.inp PASS
08-loewdin.02-intersite.inp PASS
08-loewdin.03-intersite_domains.inp PASS
08-symmetrization_mgga.01-spg3_sym.inp PASS
09-basis_from_states.01-lda.inp PASS
09-basis_from_states.02-acbn0.inp PASS
09-basis_from_states.03-intersite.inp PASS
09-etsf_io.01-gs.inp PASS
09-symmetrization_gga.01-spg143_nosym.inp PASS
09-symmetrization_gga.02-spg143_sym.inp PASS
10-berkeleygw.01-gs.inp PASS
10-berkeleygw.02-unocc.inp PASS
11-silicon_force.01-gs.inp PASS
11-silicon_force.02-nlcc.inp PASS
11-silicon_force.03-nosym.inp PASS
12-boron_nitride.01-gs.inp PASS
12-boron_nitride.02-gs_gamma.inp PASS
13-arpes_2d.01-gs.inp PASS
13-arpes_2d.02-td.inp PASS
13-arpes_2d.03-restart.inp PASS
13-arpes_2d.04-spectrum.inp PASS
13-primitive.01-diamond.inp PASS
13-primitive.02-graphene.inp PASS
13-primitive.03-bcc_iron.inp PASS
14-silicon_shifts.01-gs.inp PASS
14-silicon_shifts.02-td.inp PASS
14-silicon_shifts.03-td_parstates.inp PASS
14-silicon_shifts.04-delayed_kick.inp PASS
14-silicon_shifts.05-dielectric_function.inp PASS
15-bandstructure.01-gs.inp PASS
15-bandstructure.02-unocc.inp PASS
15-bandstructure.03-wannier90_setup.inp PASS
15-bandstructure.04-wannier90_output.inp PASS
15-bandstructure.05-wannier90_states.inp PASS
16-sodium_chain_cylinder.01-ground_state.inp PASS
16-sodium_chain_cylinder.02-unocc.inp PASS
16-sodium_chain_cylinder.03-ground_state_disp.inp PASS
16-sodium_chain_cylinder.04-unocc_disp.inp PASS
17-aluminium.01-gs.inp PASS
17-aluminium.02-td.inp PASS
17-aluminium.03-conductivity.inp PASS
18-TiO2.01-gs.inp PASS
19-unfolding.01-gs.inp PASS
19-unfolding.02-setup.inp PASS
19-unfolding.03-unocc.inp PASS
19-unfolding.04-run.inp PASS
20-masked_periodic_boundaries.01-graphene.inp PASS
21-magnon.01-gs.inp PASS
21-magnon.02-td.inp PASS
21-magnon.03-susceptibility.inp PASS
22-berry.01-cubic_Si_gs.inp PASS
22-berry.02-cubic_Si.inp PASS
23-hybrids.01-ace.inp PASS
23-hybrids.02-ace_accel.inp PASS
23-hybrids.03-Si_pbe0.inp PASS
23-hybrids.04-parstates.inp PASS
24-hartree_fock_1D.01-gs.inp PASS
25-Fe_polarized.01-gs.inp PASS
25-Fe_polarized.02-setup.inp PASS
25-Fe_polarized.03-unocc.inp PASS
25-Fe_polarized.04-unfold.inp PASS
26-Na.01-gs.inp PASS
26-Na.02-kdotp.inp PASS
27-Ar.01-gs.inp PASS
27-Ar.02-kdotp.inp PASS
27-Ar.03-em_resp_mo.inp PASS
28-mgga_kli.01-Si_scan.inp PASS
29-soc_solids.01-gs.inp PASS
30-stress.02-gamma_point.inp PASS
30-stress.03-par_kpoints.inp PASS
30-stress.04-kpoint_sym.inp PASS
30-stress.05-output_scf.inp PASS
31-magnon_1d.01-gs.inp PASS
31-magnon_1d.02-td.inp PASS
-
01-h1d_lin.01-mask.inp PASS
01-h1d_lin.02-ba.inp PASS
02-restart.01-ba.inp PASS
02-restart.02-restart_ba.inp PASS
03-h1d_ati.01.inp PASS
04-nfft.01-ba.inp PASS
05-pfft.01-gs.inp PASS
05-pfft.02-mask.inp PASS
05-pfft.03-ba.inp PASS
06-2D.01-Na_gs.inp PASS
06-2D.02-Na_few_cy.inp PASS
07-flux_1d.01-h1d_lin.inp PASS
07-flux_1d.02-h1d_ati.inp PASS
09-flux_3d.01-Na_gs_sph.inp PASS
09-flux_3d.02-Na_td_sph.inp PASS
09-flux_3d.03-Na_gs_cub.inp PASS
09-flux_3d.04-Na_td_cub.inp PASS
10-spm_1d.h1d_lin.inp PASS
12-spm_3d.01-Na_gs.inp PASS
12-spm_3d.02-Na_td.inp PASS
13-arpes_2d.01-gs.inp PASS
13-arpes_2d.02-td.inp PASS
13-arpes_2d.03-restart.inp PASS
13-arpes_2d.04-spectrum.inp PASS
-
01-sg15-h.01-gs.inp PASS
02-cu2_hgh.01_gs.inp PASS
02-cu2_hgh.02_gs_current.inp PASS
03-nlcc.01-Fatom.inp PASS
04-carbon_dojo_psml.01-gs.inp PASS
05-carbon_dojo_pbesol.01-gs.inp PASS
06-carbon_dojo_pbe.01-gs.inp PASS
07-carbon_dojo_lda.01-gs.inp PASS
08-carbon_fhi.01-gs.inp PASS
09-carbon_cpi.01-gs.inp PASS
10-helium_upf.01-gs_nofilter.inp PASS
10-helium_upf.02-gs_filter_ts.inp PASS
10-helium_upf.03-gs_filter_bsb.inp PASS
11-isotopes.01-deuterium.inp PASS
11-isotopes.02-tritium.inp PASS
12-mix_and_match.01-mgo.inp PASS
13-U235.01-gs.inp PASS
14-carbon_dojo_psp8.01-gs.inp PASS
15-calcium_psp8_sic.01-gs.inp PASS
16-platinum_psp8.01-gs.inp PASS
17-hgh_occupations.01-W.inp PASS
17-hgh_occupations.02-Au.inp PASS
17-hgh_occupations.03-W_sc.inp PASS
17-hgh_occupations.04-Au_sc.inp PASS
18-Bi_pseudodojo_fr.01-gs.inp FAIL
-
01-propagators.01-gs.inp PASS
01-propagators.02-expmid.inp PASS
01-propagators.03-etrs_taylor.inp PASS
01-propagators.04-etrs_lanczos.inp PASS
01-propagators.05-etrs_chebyshev.inp PASS
01-propagators.06-aetrs.inp PASS
01-propagators.07-caetrs.inp PASS
01-propagators.08-cn.inp PASS
01-propagators.09-magnus.inp PASS
01-propagators.10-exprk4.inp PASS
01-propagators.11-cfmagnus4.inp PASS
02-propagators.01-gs.inp PASS
02-propagators.02-cnsparskit.inp PASS
02-propagators.03-rungekutta2.inp PASS
02-propagators.04-rungekutta4.inp PASS
03-td_self_consistent.01-gs.inp PASS
03-td_self_consistent.02-etrs.inp PASS
05-time_propagation.01-gs.inp PASS
05-time_propagation.02-td_domains.inp PASS
05-time_propagation.03-td_domains_states.inp PASS
05-time_propagation.04-td_domains_states-reorder_ranks.inp PASS
05-time_propagation.05-td_md.inp PASS
05-time_propagation.06-td_fast_md.inp PASS
06-caetrs.01-gs.inp PASS
06-caetrs.02-kick.inp PASS
06-caetrs.03-kick-tp1.inp PASS
06-caetrs.04-kick-tp2.inp PASS
06-laser.01-gs.inp PASS
06-laser.02-length_gauge.inp PASS
06-laser.03-velocity_gauge.inp PASS
08-laser.01-ground_state.inp PASS
08-laser.02-length_gauge.inp PASS
08-laser.03-velocity_gauge.inp PASS
08-laser.04-velocity_gauge_cheby.inp PASS
08-laser.05-forces.inp PASS
09-angular_momentum.01-gs.inp PASS
09-angular_momentum.02-td_gipaw.inp PASS
09-angular_momentum.03-td_icl.inp PASS
09-angular_momentum.04-rotatory_strength.inp PASS
10-bomd.01-gs.inp PASS
10-bomd.02-td.inp PASS
10-bomd.03-td_restart.inp PASS
10-bomd.04-xyz-anim.inp PASS
11-tdmagnetic.01-gs.inp PASS
11-tdmagnetic.02-unocc.inp PASS
11-tdmagnetic.03-td.inp PASS
12-absorption.01-gs.inp PASS
12-absorption.02-td.inp PASS
12-absorption.03-td-restart.inp PASS
12-absorption.04-spectrum.inp PASS
12-absorption.05-spectrum_compressed_sensing.inp PASS
12-absorption.06-power_spectrum.inp PASS
12-absorption.07-spectrum_cosine.inp PASS
12-absorption.08-spectrum_exp.inp PASS
12-electronic_subsystem_propagators.01-gs.inp PASS
12-electronic_subsystem_propagators.02-expmid.inp PASS
12-electronic_subsystem_propagators.03-aetrs.inp PASS
13-absorption-spin.01-gs.inp PASS
13-absorption-spin.02-td.inp PASS
13-absorption-spin.03-td-restart.inp PASS
13-absorption-spin.04-spectrum.inp PASS
13-absorption-spin.05-spectrum_compressed_sensing.inp PASS
13-absorption-spin.06-td_spinkick.inp PASS
13-absorption-spin.07-spectrum_triplet.inp PASS
14-absorption-spinors.01-gs.inp PASS
14-absorption-spinors.02-td.inp PASS
14-absorption-spinors.03-td-restart.inp PASS
14-absorption-spinors.04-spectrum.inp PASS
14-absorption-spinors.05-spectrum_compressed_sensing.inp PASS
15-crank_nicolson.01-gs.inp PASS
15-crank_nicolson.02-kick.inp PASS
15-crank_nicolson.03-freeze_domains.inp PASS
15-crank_nicolson.04-freeze_states.inp PASS
15-crank_nicolson.05-freeze_sae.inp PASS
15-electronic_system_restart.01-gs.inp PASS
15-electronic_system_restart.02-td_full.inp PASS
15-electronic_system_restart.03-td_restart_part1.inp PASS
15-electronic_system_restart.04-td_restart_part2.inp PASS
16-bomd.01-gs.inp PASS
16-bomd.02-td.inp PASS
16-sparskit.01-gs.inp PASS
16-sparskit.02-kick.inp PASS
17-absorption-spin_symmetry.01-gs.inp PASS
17-absorption-spin_symmetry.02-td.inp PASS
17-absorption-spin_symmetry.03-spectrum.inp PASS
18-hhg.01-gs.inp PASS
18-hhg.02-td.inp PASS
18-hhg.03-hs.inp PASS
19-td_move_ions.01-gs.inp PASS
19-td_move_ions.02-td.inp PASS
19-td_move_ions.03-td_restart.inp PASS
20-pcm-local-field-absorption.01-gs.inp PASS
20-pcm-local-field-absorption.02-td_prop_eom.inp PASS
21-scissor.01-gs.inp PASS
21-scissor.02-td.inp PASS
21-scissor.03-spectrum.inp PASS
22-td_move_ions_periodic.01-gs.inp PASS
22-td_move_ions_periodic.02-td.inp PASS
-
01-asym_doublewell.01-ground_state.inp PASS
01-asym_doublewell.02-unocc.inp PASS
01-asym_doublewell.03-oct_run.inp PASS
01-asym_doublewell.04-oct_run.inp PASS
01-asym_doublewell.05-oct_run.inp PASS
01-cosh_2e_1d.01-gs.inp PASS
01-cosh_2e_1d.02-td.inp PASS
01-derivatives_1d.01.inp PASS
01-derivatives_1d.02-fortran.inp PASS
01-free_electrons.01-ground_state.inp PASS
01-free_electrons.02-unocc.inp PASS
01-free-propagation.01-1_pulse_td.inp PASS
01-free-propagation.02-2_pulses_td.inp PASS
01-h1d_lin.01-mask.inp PASS
01-h1d_lin.02-ba.inp PASS
01-hydrogen.01-ground_state.inp PASS
01-hydrogen.02-excited_state.inp PASS
01-hydrogen.03-dummy.inp PASS
01-hydrogen.04-absorbing_boundaries.inp PASS
01-nested_systems.01-two_levels.inp PASS
01-nested_systems.02-three_levels.inp PASS
01-nested_systems.03-four_levels.inp PASS
01-propagators.01-gs.inp PASS
01-propagators.02-expmid.inp PASS
01-propagators.03-etrs_taylor.inp PASS
01-propagators.04-etrs_lanczos.inp PASS
01-propagators.05-etrs_chebyshev.inp PASS
01-propagators.06-aetrs.inp PASS
01-propagators.07-caetrs.inp PASS
01-propagators.08-cn.inp PASS
01-propagators.09-magnus.inp PASS
01-propagators.10-exprk4.inp PASS
01-propagators.11-cfmagnus4.inp PASS
01-quadratic_box.01-ground_state.inp PASS
01-quadratic_box.02-hartree.inp PASS
01-quadratic_box.03-hartree+xc.inp PASS
01-quadratic_box.04-spin_polarized.inp PASS
01-run_mode.01-one_shot.inp PASS
01-sg15-h.01-gs.inp PASS
01-xc_1d.01-wfs-lda.inp PASS
01-xc_1d.02-wfs-hf.inp PASS
01-xc_1d.lda_csc.inp PASS
01-xc_1d.oep_exx.inp PASS
01-xc_1d.oep_kli.inp PASS
02-cosine_potential.01-ground_state.inp PASS
02-cosine_potential.02-unocc.inp PASS
02-curvilinear_coordinates.01-gygi.inp PASS
02-derivatives_2d.01.inp PASS
02-h2o_pol_lr.01_h2o_gs.inp PASS
02-h2o_pol_lr.02_h2o_dyn_pol.inp PASS
02-h2o_pol_lr.03_h2o_dyn_pol_cmplx.inp PASS
02-h2o_pol_lr.04_h2o_susc.inp PASS
02-h2o_pol_lr.05_h2o_magn_opt.inp PASS
02-interaction_graph.01-three_body.inp PASS
02-neon_mpi.01-ground_state-IP_par_domains.inp PASS
02-neon_mpi.02-ground_state-kli_par_domains.inp PASS
02-neon_mpi.03-td_calc-kli_par_states.inp PASS
02-propagators.01-gs.inp PASS
02-propagators.02-cnsparskit.inp PASS
02-propagators.03-rungekutta2.inp PASS
02-propagators.04-rungekutta4.inp PASS
02-restart.01-ba.inp PASS
02-restart.02-restart_ba.inp PASS
02-scf_errors.01-rdmft.inp PASS
02-xc_2d.01-hartree.inp PASS
02-xc_2d.02-hf.inp PASS
02-xc_2d.gga_b86.inp PASS
02-xc_2d.gga_b86_mgc.inp PASS
02-xc_2d.gga_b88.inp PASS
02-xc_2d.gga_pbe.inp PASS
02-xc_2d.lda_amgb.inp PASS
02-xc_2d.lda_prm.inp PASS
03-ACBN0_restricted.01-lif.inp PASS
03-ACBN0_restricted.02-lif_unpacked.inp PASS
03-derivatives_3d.01.inp PASS
03-derivatives_3d.02-non-orthogonal.inp PASS
03-derivatives_3d.02-non-orthogonal_unpacked.inp PASS
03-h1d_ati.01.inp PASS
03-He-Hartree-Fock.01-gs.inp PASS
03-helium_atom.01-ground_state.inp PASS
03-helium_atom.02-ground_state.inp PASS
03-interactions_creation.01-case1.inp PASS
03-interactions_creation.02-case2.inp PASS
03-interactions_creation.03-case3.inp PASS
03-interactions_creation.04-case4.inp PASS
03-nlcc.01-Fatom.inp PASS
03-td_self_consistent.01-gs.inp PASS
03-td_self_consistent.02-etrs.inp PASS
04-ACBN0_isolated.01-H_unpacked.inp PASS
04-ACBN0_isolated.02-H_packed.inp PASS
04-hartree_3d_cg.01-cg_corrected.inp PASS
04-lithium.01-ground_state.inp PASS
04-lithium.02-absorbing_boundaries.inp PASS
04-nfft.01-ba.inp PASS
04-propagation_verlet.01-two_body.inp PASS
04-propagation_verlet.02-three_body.inp PASS
04-propagation_verlet.03-two_body_different_time_steps.inp PASS
04-propagation_verlet.04-three_body_different_time_steps.inp PASS
04-vib_modes.01-ground_state.inp PASS
04-vib_modes.02-vib_modes.inp PASS
04-vib_modes.03-vib_modes_restart.inp PASS
05-forces.01-Na2.inp PASS
05-forces.02-Na2_go.inp PASS
05-ks_inversion.01-target_density.inp PASS
05-ks_inversion.02-two_particle.inp PASS
05-ks_inversion.03-inversion.inp PASS
05-lithium.01-gs.inp PASS
05-lithium.02-td.inp PASS
05-lithium.03-td-restart.inp PASS
05-lithium.04-dielectric_function.inp PASS
05-lithium.05-tdtdm.inp PASS
05-output.01-gs-set1.inp PASS
05-output.02-gs.inp PASS
05-output.03-convert.inp PASS
05-output.04-convert-op.inp PASS
05-propagation_beeman.01-two_body.inp PASS
05-propagation_beeman.02-three_body.inp PASS
05-propagation_beeman.03-two_body_different_time_steps.inp PASS
05-propagation_beeman.04-three_body_different_time_steps.inp PASS
05-spin_precession.01-ground_state.inp PASS
05-spin_precession.02-time_propagation.inp PASS
06-caetrs.01-gs.inp PASS
06-caetrs.02-kick.inp PASS
06-caetrs.03-kick-tp1.inp PASS
06-caetrs.04-kick-tp2.inp PASS
06-carbon_dojo_pbe.01-gs.inp PASS
06-circular-polarization.01-1_puse_circ_pol.inp PASS
06-gdlib.01-gs.inp PASS
06-hartree_3d_isf.01-isf.inp PASS
06-laser.01-gs.inp PASS
06-laser.02-length_gauge.inp PASS
06-laser.03-velocity_gauge.inp PASS
06-propagation_expmid.01-two_body.inp PASS
06-propagation_expmid.02-three_body.inp PASS
06-propagation_expmid.03-two_body_different_time_steps.inp PASS
06-propagation_expmid.04-three_body_different_time_steps.inp PASS
06-propagation_expmid.05-two_body_verlet_half.inp PASS
06-propagation_expmid.06-two_body_verlet.inp PASS
06-restart.01-gs_mixrho.inp PASS
06-restart.02-restart_gs_mixrho.inp PASS
06-restart.03-gs_mixvhxc.inp PASS
06-restart.04-restart_gs_mixvhxc.inp PASS
06-restart.05-restart_gs.inp PASS
06-restart.06-td_calc.inp PASS
06-restart.07-restart_td_calc.inp PASS
07-casida-photons.01-gs.inp PASS
07-casida-photons.02-photons.inp PASS
07-casida-photons.03-scalapack.inp PASS
07-casida-photons.04-elpa.inp PASS
07-casida-photons.05-elpa-parother.inp PASS
07-casida-photons.06-spectrum.inp PASS
07-cholesky_serial.01-real.inp PASS
07-cholesky_serial.02-complex.inp PASS
07-cholesky_serial.03-parindep.inp PASS
07-flux_1d.01-h1d_lin.inp PASS
07-flux_1d.02-h1d_ati.inp PASS
07-lorentz-force.01-charged_particle_coupled_to_maxwell.inp PASS
07-lorentz-force.02-charged_particle_in_static_efield.inp PASS
07-lorentz-force.03-charged_particle_illegal_propagator.inp PASS
07-mode-resolved-maxwell-ks-propagation.01-1D-Helium-ground-state.inp PASS
07-mode-resolved-maxwell-ks-propagation.02-kick-of-the-electronic-subsystem.inp PASS
07-spin_orbit_coupling.01-hgh.inp PASS
07-spin_orbit_coupling.02-rkb.inp PASS
07-user_def_box.01-gs.inp PASS
08-benzene_supercell.01-gs.inp PASS
08-constrain.01-gs.inp PASS
08-constrain.02-gs_dir.inp PASS
08-constrain.03-polarized.inp PASS
08-coulomb_force.01-classical_helium.inp PASS
08-laser.01-ground_state.inp PASS
08-laser.02-length_gauge.inp PASS
08-laser.03-velocity_gauge.inp PASS
08-laser.04-velocity_gauge_cheby.inp PASS
08-laser.05-forces.inp PASS
08-restart-maxwell.01-free-propagation_fromscratch.inp PASS
08-restart-maxwell.01-free-propagation_restarted.inp PASS
08-restart-maxwell.02-external-current-pml_fromscratch.inp PASS
08-restart-maxwell.02-external-current-pml_restarted.inp PASS
08-restart-maxwell.03-linear-medium_fromscratch.inp PASS
08-restart-maxwell.03-linear-medium_restarted.inp PASS
08-sternheimer-photons.01-gs.inp PASS
08-sternheimer-photons.02-em_resp.inp PASS
09-illegal_system_names.01-duplicated.inp PASS
09-illegal_system_names.02-empty.inp PASS
09-illegal_system_names.03-illegal_character.inp PASS
09-illegal_system_names.04-white_space.inp PASS
09-magnetic_2d.01-no_field.inp PASS
09-magnetic_2d.02-gs_gauge_xy.inp PASS
09-magnetic_2d.03-gs_gauge_y.inp PASS
09-morse.01-gs.inp PASS
09-morse.02-unocc.inp PASS
09-morse.03-td.inp PASS
09-spinors.01-ground_state.inp PASS
09-spinors.02-rmmdiis.inp PASS
09-vdw_ts_sc.01-gs.inp PASS
10-bomd.01-gs.inp PASS
10-bomd.02-td.inp PASS
10-bomd.03-td_restart.inp PASS
10-bomd.04-xyz-anim.inp PASS
10-dftbplus_verlet.01-water.inp PASS
10-hartree_pfft.01-fft.inp PASS
10-hartree_pfft.02-fft_corrected.inp PASS
10-hartree_pfft.03-3d_1d_periodic.inp PASS
10-hartree_pfft.04-3d_3d_periodic.inp PASS
10-hartree_pfft.05-3d_2d_periodic.inp PASS
10-hartree_pfft.06-fft-parstates.inp PASS
10-helium_upf.01-gs_nofilter.inp PASS
10-helium_upf.02-gs_filter_ts.inp PASS
10-helium_upf.03-gs_filter_bsb.inp PASS
10-intersite.01-Na2.inp PASS
10-intersite.02-silicon.inp PASS
10-spm_1d.h1d_lin.inp PASS
11-classical.01-ground_state.inp PASS
11-classical.02-oct.inp PASS
11-classical.03-oct_taylor.inp PASS
11-dftbplus_ehrenfest.01-benzene.inp PASS
11-full_delta.01-gs.inp PASS
11-hartree_cl.01-fft.inp PASS
11-isotopes.01-deuterium.inp PASS
11-isotopes.02-tritium.inp PASS
11-silicon_force.01-gs.inp PASS
11-silicon_force.02-nlcc.inp PASS
11-silicon_force.03-nosym.inp PASS
11-vdw_d3.01-gs.inp PASS
12-absorption.01-gs.inp PASS
12-absorption.02-td.inp PASS
12-absorption.03-td-restart.inp PASS
12-absorption.04-spectrum.inp PASS
12-absorption.05-spectrum_compressed_sensing.inp PASS
12-absorption.06-power_spectrum.inp PASS
12-absorption.07-spectrum_cosine.inp PASS
12-absorption.08-spectrum_exp.inp PASS
12-boron_nitride.01-gs.inp PASS
12-boron_nitride.02-gs_gamma.inp PASS
12-electronic_subsystem_propagators.01-gs.inp PASS
12-electronic_subsystem_propagators.02-expmid.inp PASS
12-electronic_subsystem_propagators.03-aetrs.inp PASS
12-forces.01-N2_gs.inp PASS
12-forces.02-N2_gs.inp PASS
12-forces.03-N2_gs.inp PASS
12-intersite_spinors.01-Na2_gs.inp PASS
12-intersite_spinors.02-Na2_td.inp PASS
12-mix_and_match.01-mgo.inp PASS
13-full_potential_hydrogen.01-gs.inp PASS
13-full_potential_hydrogen.02-gs-cg.inp PASS
13-hartree_3d_mg.01-multigrid.inp PASS
13-libvdwxc_h2o.01-vdwdfcx.inp PASS
13-restart_verlet.01-restart-run-part1.inp PASS
13-restart_verlet.02-restart-run-part2.inp PASS
13-restart_verlet.03-full-run.inp PASS
14-center-geom.01-run.inp PASS
14-lennard-jones.01-classical-particles-N2.inp PASS
14-libvdwxc_Be_hcp.01-vdwdfcx.inp PASS
14-quadrupole-pot.01-hydrogen-gs.inp PASS
15-calcium_psp8_sic.01-gs.inp PASS
15-cholesky_parallel.01-real.inp PASS
15-cholesky_parallel.02-complex.inp PASS
15-crank_nicolson.01-gs.inp PASS
15-crank_nicolson.02-kick.inp PASS
15-crank_nicolson.03-freeze_domains.inp PASS
15-crank_nicolson.04-freeze_states.inp PASS
15-crank_nicolson.05-freeze_sae.inp PASS
15-electronic_system_restart.01-gs.inp PASS
15-electronic_system_restart.02-td_full.inp PASS
15-electronic_system_restart.03-td_restart_part1.inp PASS
15-electronic_system_restart.04-td_restart_part2.inp PASS
15-oep-CG.01-kli.inp PASS
15-oep-CG.02-oep-dens.inp PASS
16-bomd.01-gs.inp PASS
16-bomd.02-td.inp PASS
16-dressed-rdmft.01-ip.inp PASS
16-dressed-rdmft.02-hf.inp PASS
16-dressed-rdmft.03-rdmft.inp PASS
16-hartree_3d_psolver.01-psolver.inp PASS
16-hartree_3d_psolver.02-psolver.inp PASS
16-platinum_psp8.01-gs.inp PASS
16-sparskit.01-gs.inp PASS
16-sparskit.02-kick.inp PASS
17-absorption-spin_symmetry.01-gs.inp PASS
17-absorption-spin_symmetry.02-td.inp PASS
17-absorption-spin_symmetry.03-spectrum.inp PASS
17-lasers.01-length_gauge.inp PASS
17-oep-photons.01-kli-spinpolarized.inp PASS
17-oep-photons.02-kli.inp PASS
17-oep-photons.03-oep.inp PASS
17-recipe.inp PASS
18-hhg.01-gs.inp PASS
18-hhg.02-td.inp PASS
18-hhg.03-hs.inp PASS
18-incompatible_timing.01-run.inp PASS
18-interpolation.01-1d.inp PASS
18-interpolation.02-2d.inp PASS
18-interpolation.03-3d.inp PASS
18-mgga.01-br89.inp PASS
18-mgga.02-br89_oep.inp PASS
19-hgh_soc.01-3d.inp PASS
20-dft_u.01-real_mesh.inp PASS
20-dft_u.02-real_submesh.inp PASS
20-dft_u.03-complex_mesh.inp PASS
20-dft_u.04-complex_submesh.inp PASS
20-dft_u.05-real_mesh_unpacked.inp PASS
20-dft_u.06-real_submesh_unpacked.inp PASS
20-dft_u.07-complex_mesh_unpacked.inp PASS
20-dft_u.08-complex_submesh_unpacked.inp PASS
20-eigensolver.01-cg.inp PASS
20-eigensolver.03-plan.inp PASS
20-eigensolver.04-evolution.inp PASS
20-eigensolver.05-rmmdiis.inp PASS
20-eigensolver.06-rmmdiis-noscalapack.inp PASS
20-eigensolver.07-chebyshev.inp PASS
21-hamiltonian_apply.01-Si.inp PASS
21-scissor.01-gs.inp PASS
21-scissor.02-td.inp PASS
21-scissor.03-spectrum.inp PASS
22-density_calc.01-Si.inp PASS
22-preconditioner.01-none.inp PASS
22-preconditioner.02-filter.inp PASS
22-preconditioner.03-jacobi.inp PASS
22-preconditioner.04-multigrid.inp PASS
22-preconditioner.05-multigrid_rmmdiis.inp PASS
23-exponential_apply.01-jellium.inp PASS
23-hybrids.01-ace.inp PASS
23-hybrids.02-ace_accel.inp PASS
23-hybrids.03-Si_pbe0.inp PASS
23-hybrids.04-parstates.inp PASS
24-boundaries.01-jellium.inp PASS
24-hartree_fock_1D.01-gs.inp PASS
24-o2-spin.01-gs.inp PASS
25-subspace.01-jellium.inp PASS
26-batch_ops.01-jellium.inp PASS
26-batch_ops.02-jellium-complex.inp PASS
26-batch_ops.03-jellium-spinor.inp PASS
26-Na.01-gs.inp PASS
26-Na.02-kdotp.inp PASS
27-clock.01.inp PASS
28-carbon_big_box.01-ground_state.inp PASS
28-cgal.01.inp PASS
29-linear_solver.01-real.inp PASS
30-eigensolver.01.inp PASS
30-local_multipoles.01-gs.inp PASS
30-local_multipoles.02-multipoles.inp PASS
30-local_multipoles.03-multipoles_restart.inp PASS
30-stress.02-gamma_point.inp PASS
30-stress.03-par_kpoints.inp PASS
30-stress.04-kpoint_sym.inp PASS
30-stress.05-output_scf.inp PASS
31-grid_interpolation.01.inp PASS
31-magnon_1d.01-gs.inp PASS
31-magnon_1d.02-td.inp PASS
32-hash-tables.01-iihash.inp PASS
32-hash-tables.02-sihash.inp PASS
32-hash-tables.03-sphash.inp PASS
33-cg.01-orthogonalize_all.inp PASS
33-cg.02-additional_terms.inp PASS
33-cg.03-cg_direction.inp PASS
33-mpiwrappers.01-wrappers.inp PASS
34-regridding.01-samespacing-mixed.inp PASS
34-regridding.02-samespacing-parstates.inp PASS
34-regridding.03-samespacing-pardomains.inp PASS
34-regridding.04-spacing-ratio3-mixed.inp PASS
34-regridding.05-spacing-ratio3-parstates.inp PASS
34-regridding.06-spacing-ratio3-pardomains.inp PASS
34-regridding.07-spacing-ratio3-nearestneighbor-mixed.inp PASS
34-regridding.08-spacing-ratio3-nearestneighbor-parstates.inp PASS
34-regridding.09-spacing-ratio3-nearestneighbor-pardomains.inp PASS
35-helmholtz_decom.01-large_box_no_surf_corr.inp PASS
35-helmholtz_decom.02-small_box_no_surf_corr.inp PASS
35-helmholtz_decom.03-parallelepiped_small_box_with_surf_corr.inp PASS
35-helmholtz_decom.04-cylinder_small_box_with_surf_corr.inp PASS
35-helmholtz_decom.05-sphere_small_box_with_surf_corr.inp PASS
36-maxwell_vector_potential.inp PASS
37-current-density.inp PASS
37-sternheimer_polarized.01-gs.inp PASS
37-sternheimer_polarized.02-em_resp.inp PASS
39-adsic.01-unpolarized.inp PASS
39-adsic.02-polarized.inp PASS
40-evo.01-par_domains.inp PASS
40-evo.02-par_states.inp PASS
-
01-triclinic.01-spg1.inp PASS
01-triclinic.02-spg2.inp PASS
02-monoclinic.01-spg3.inp PASS
02-monoclinic.02-spg4.inp PASS
02-monoclinic.03-spg5.inp PASS
02-monoclinic.04-spg6.inp PASS
02-monoclinic.05-spg7.inp PASS
02-monoclinic.06-spg8.inp PASS
02-monoclinic.07-spg9.inp PASS
02-monoclinic.08-spg10.inp PASS
02-monoclinic.09-spg11.inp PASS
02-monoclinic.10-spg12.inp PASS
02-monoclinic.11-spg13.inp PASS
02-monoclinic.12-spg14.inp PASS
02-monoclinic.13-spg15.inp PASS
03-orthorombic.01-spg16.inp PASS
03-orthorombic.02-spg17.inp PASS
03-orthorombic.03-spg18.inp PASS
03-orthorombic.04-spg19.inp PASS
03-orthorombic.05-spg20.inp PASS
03-orthorombic.06-spg21.inp PASS
03-orthorombic.07-spg22.inp PASS
03-orthorombic.08-spg23.inp PASS
03-orthorombic.09-spg24.inp PASS
03-orthorombic.10-spg25.inp PASS
03-orthorombic.11-spg26.inp PASS
03-orthorombic.12-spg27.inp PASS
03-orthorombic.13-spg28.inp PASS
03-orthorombic.14-spg29.inp PASS
03-orthorombic.15-spg30.inp PASS
03-orthorombic.16-spg31.inp PASS
03-orthorombic.17-spg32.inp PASS
03-orthorombic.18-spg33.inp PASS
03-orthorombic.19-spg34.inp PASS
03-orthorombic.20-spg35.inp PASS
03-orthorombic.21-spg36.inp PASS
03-orthorombic.22-spg37.inp PASS
03-orthorombic.23-spg38.inp PASS
03-orthorombic.24-spg39.inp PASS
03-orthorombic.25-spg40.inp PASS
03-orthorombic.26-spg41.inp PASS
03-orthorombic.27-spg42.inp PASS
03-orthorombic.28-spg43.inp PASS
03-orthorombic.29-spg44.inp PASS
03-orthorombic.30-spg45.inp PASS
03-orthorombic.31-spg46.inp PASS
03-orthorombic.32-spg47.inp PASS
03-orthorombic.33-spg48.inp PASS
03-orthorombic.34-spg49.inp PASS
03-orthorombic.35-spg50.inp PASS
03-orthorombic.36-spg51.inp PASS
03-orthorombic.37-spg52.inp PASS
03-orthorombic.38-spg53.inp PASS
03-orthorombic.39-spg54.inp PASS
03-orthorombic.40-spg55.inp PASS
03-orthorombic.41-spg56.inp PASS
03-orthorombic.42-spg57.inp PASS
03-orthorombic.43-spg58.inp PASS
03-orthorombic.44-spg59.inp PASS
03-orthorombic.45-spg60.inp PASS
03-orthorombic.46-spg61.inp PASS
03-orthorombic.47-spg62.inp PASS
03-orthorombic.48-spg63.inp PASS
03-orthorombic.49-spg64.inp PASS
03-orthorombic.50-spg65.inp PASS
03-orthorombic.51-spg66.inp PASS
03-orthorombic.52-spg67.inp PASS
03-orthorombic.53-spg68.inp PASS
03-orthorombic.54-spg69.inp PASS
03-orthorombic.55-spg70.inp PASS
03-orthorombic.56-spg71.inp PASS
03-orthorombic.57-spg72.inp PASS
03-orthorombic.58-spg73.inp PASS
03-orthorombic.59-spg74.inp PASS
04-silicon.01-gs.inp PASS
04-silicon.02-kdotp.inp PASS
04-silicon.03-emresp.inp PASS
04-silicon.05-emresp_magn.inp PASS
04-tetragonal.01-spg75.inp PASS
04-tetragonal.02-spg76.inp PASS
04-tetragonal.03-spg77.inp PASS
04-tetragonal.04-spg78.inp PASS
04-tetragonal.05-spg79.inp PASS
04-tetragonal.06-spg80.inp PASS
04-tetragonal.07-spg81.inp PASS
04-tetragonal.08-spg82.inp PASS
04-tetragonal.09-spg83.inp PASS
04-tetragonal.10-spg84.inp PASS
04-tetragonal.11-spg85.inp PASS
04-tetragonal.12-spg86.inp PASS
04-tetragonal.13-spg87.inp PASS
04-tetragonal.14-spg88.inp PASS
04-tetragonal.15-spg89.inp PASS
04-tetragonal.16-spg90.inp PASS
04-tetragonal.17-spg91.inp PASS
04-tetragonal.18-spg92.inp PASS
04-tetragonal.19-spg93.inp PASS
04-tetragonal.20-spg94.inp PASS
04-tetragonal.21-spg95.inp PASS
04-tetragonal.22-spg96.inp PASS
04-tetragonal.23-spg97.inp PASS
04-tetragonal.24-spg98.inp PASS
04-tetragonal.25-spg99.inp PASS
04-tetragonal.26-spg100.inp PASS
04-tetragonal.27-spg101.inp PASS
04-tetragonal.28-spg102.inp PASS
04-tetragonal.29-spg103.inp PASS
04-tetragonal.30-spg104.inp PASS
04-tetragonal.31-spg105.inp PASS
04-tetragonal.32-spg106.inp PASS
04-tetragonal.33-spg107.inp PASS
04-tetragonal.34-spg108.inp PASS
04-tetragonal.35-spg109.inp PASS
04-tetragonal.36-spg110.inp PASS
04-tetragonal.37-spg111.inp PASS
04-tetragonal.38-spg112.inp PASS
04-tetragonal.39-spg113.inp PASS
04-tetragonal.40-spg114.inp PASS
04-tetragonal.41-spg115.inp PASS
04-tetragonal.42-spg116.inp PASS
04-tetragonal.43-spg117.inp PASS
04-tetragonal.44-spg118.inp PASS
04-tetragonal.45-spg119.inp PASS
04-tetragonal.46-spg120.inp PASS
04-tetragonal.47-spg121.inp PASS
04-tetragonal.48-spg122.inp PASS
04-tetragonal.49-spg123.inp PASS
04-tetragonal.50-spg124.inp PASS
04-tetragonal.51-spg125.inp PASS
04-tetragonal.52-spg126.inp PASS
04-tetragonal.53-spg127.inp PASS
04-tetragonal.54-spg128.inp PASS
04-tetragonal.55-spg129.inp PASS
04-tetragonal.56-spg130.inp PASS
04-tetragonal.57-spg131.inp PASS
04-tetragonal.58-spg132.inp PASS
04-tetragonal.59-spg133.inp PASS
04-tetragonal.60-spg134.inp PASS
04-tetragonal.61-spg135.inp PASS
04-tetragonal.62-spg136.inp PASS
04-tetragonal.63-spg137.inp PASS
04-tetragonal.64-spg138.inp PASS
04-tetragonal.65-spg139.inp PASS
04-tetragonal.66-spg140.inp PASS
04-tetragonal.67-spg141.inp PASS
04-tetragonal.68-spg142.inp PASS
05-hexagonal.01-spg143.inp PASS
05-hexagonal.02-spg144.inp PASS
05-hexagonal.03-spg145.inp PASS
05-hexagonal.04-spg146.inp PASS
05-hexagonal.05-spg147.inp PASS
05-hexagonal.06-spg148.inp PASS
05-hexagonal.07-spg149.inp PASS
05-hexagonal.08-spg150.inp PASS
05-hexagonal.09-spg151.inp PASS
05-hexagonal.10-spg152.inp PASS
05-hexagonal.11-spg153.inp PASS
05-hexagonal.12-spg154.inp PASS
05-hexagonal.13-spg155.inp PASS
05-hexagonal.14-spg156.inp PASS
05-hexagonal.15-spg157.inp PASS
05-hexagonal.16-spg158.inp PASS
05-hexagonal.17-spg159.inp PASS
05-hexagonal.18-spg160.inp PASS
05-hexagonal.19-spg161.inp PASS
05-hexagonal.20-spg162.inp PASS
05-hexagonal.21-spg163.inp PASS
05-hexagonal.22-spg164.inp PASS
05-hexagonal.23-spg165.inp PASS
05-hexagonal.24-spg166.inp PASS
05-hexagonal.25-spg167.inp PASS
05-hexagonal.26-spg168.inp PASS
05-hexagonal.27-spg169.inp PASS
05-hexagonal.28-spg170.inp PASS
05-hexagonal.29-spg171.inp PASS
05-hexagonal.30-spg172.inp PASS
05-hexagonal.31-spg173.inp PASS
05-hexagonal.32-spg174.inp PASS
05-hexagonal.33-spg175.inp PASS
05-hexagonal.34-spg176.inp PASS
05-hexagonal.35-spg177.inp PASS
05-hexagonal.36-spg178.inp PASS
05-hexagonal.37-spg179.inp PASS
05-hexagonal.38-spg180.inp PASS
05-hexagonal.39-spg181.inp PASS
05-hexagonal.40-spg182.inp PASS
05-hexagonal.41-spg183.inp PASS
05-hexagonal.42-spg184.inp PASS
05-hexagonal.43-spg185.inp PASS
05-hexagonal.44-spg186.inp PASS
05-hexagonal.45-spg187.inp PASS
05-hexagonal.46-spg188.inp PASS
05-hexagonal.47-spg189.inp PASS
05-hexagonal.48-spg190.inp PASS
05-hexagonal.49-spg191.inp PASS
05-hexagonal.50-spg192.inp PASS
05-hexagonal.51-spg193.inp PASS
05-hexagonal.52-spg194.inp PASS
06-cubic.01-spg195.inp PASS
06-cubic.02-spg196.inp PASS
06-cubic.03-spg197.inp PASS
06-cubic.04-spg198.inp PASS
06-cubic.05-spg199.inp PASS
06-cubic.06-spg200.inp PASS
06-cubic.07-spg201.inp PASS
06-cubic.08-spg202.inp PASS
06-cubic.09-spg203.inp PASS
06-cubic.10-spg204.inp PASS
06-cubic.11-spg205.inp PASS
06-cubic.12-spg206.inp PASS
06-cubic.13-spg207.inp PASS
06-cubic.14-spg208.inp PASS
06-cubic.15-spg209.inp PASS
06-cubic.16-spg210.inp PASS
06-cubic.17-spg211.inp PASS
06-cubic.18-spg212.inp PASS
06-cubic.19-spg213.inp PASS
06-cubic.20-spg214.inp PASS
06-cubic.21-spg215.inp PASS
06-cubic.22-spg216.inp PASS
06-cubic.23-spg217.inp PASS
06-cubic.24-spg218.inp PASS
06-cubic.25-spg219.inp PASS
06-cubic.26-spg220.inp PASS
06-cubic.27-spg221.inp PASS
06-cubic.28-spg222.inp PASS
06-cubic.29-spg223.inp PASS
06-cubic.30-spg224.inp PASS
06-cubic.31-spg225.inp PASS
06-cubic.32-spg226.inp PASS
06-cubic.33-spg227.inp PASS
06-cubic.34-spg228.inp PASS
06-cubic.35-spg229.inp PASS
06-cubic.36-spg230.inp PASS
07-symmetrization_lda.01-spg2_sym.inp PASS
07-symmetrization_lda.02-spg16_sym.inp PASS
07-symmetrization_lda.03-spg75_sym.inp PASS
08-symmetrization_mgga.01-spg3_sym.inp PASS
09-symmetrization_gga.01-spg143_nosym.inp PASS
09-symmetrization_gga.02-spg143_sym.inp PASS
22-berry.01-cubic_Si_gs.inp PASS
22-berry.02-cubic_Si.inp PASS
-
01-octopus_basics-getting_started.01-H_atom.inp PASS
01-octopus_basics-getting_started.02-H_atom_spin.inp PASS
01-octopus_basics-getting_started.03-H_atom_independent.inp PASS
02-octopus_basics-basic_input_options.01-N_atom.inp PASS
03-octopus_basics-total_energy_convergence.01-N_atom.inp PASS
03-octopus_basics-total_energy_convergence.02-methane.inp PASS
04-octopus_basics-visualization.01-benzene.inp PASS
05-octopus_basics-centering_a_geometry.01-tAB.inp PASS
06-octopus_basics-periodic_systems.01-silicon.inp PASS
06-octopus_basics-periodic_systems.02-silicon_converged.inp PASS
06-octopus_basics-periodic_systems.03-bandstructure.inp PASS
07-octopus_basics-time_dependent_propagation.01-gs.inp PASS
07-octopus_basics-time_dependent_propagation.02-td.inp PASS
07-octopus_basics-time_dependent_propagation.03-td_laser.inp PASS
Tests
- 03-derivatives_3d.01.inp PASS
- 03-derivatives_3d.02-non-orthogonal.inp PASS
- 03-derivatives_3d.02-non-orthogonal_unpacked.inp PASS
- 05-hartree_3d_fft.01-fft.inp PASS
- 05-hartree_3d_fft.02-fft_corrected.inp PASS
- 05-hartree_3d_fft.03-3d_1d_periodic.inp PASS
- 05-hartree_3d_fft.04-3d_3d_periodic.inp PASS
- 05-hartree_3d_fft.05-3d_2d_periodic.inp PASS
- 07-cholesky_serial.01-real.inp PASS
- 07-cholesky_serial.02-complex.inp PASS
- 07-cholesky_serial.03-parindep.inp PASS
- 08-gs.01-cgs_real.inp PASS
- 08-gs.02-cgs_complex.inp PASS
- 08-gs.03-mgs_real.inp PASS
- 08-gs.04-mgs_complex.inp PASS
- 08-gs.05-drcgs_real.inp PASS
- 08-gs.06-drcgs_complex.inp PASS
- 10-hartree_pfft.01-fft.inp PASS
- 10-hartree_pfft.02-fft_corrected.inp PASS
- 10-hartree_pfft.03-3d_1d_periodic.inp PASS
- 10-hartree_pfft.04-3d_3d_periodic.inp PASS
- 10-hartree_pfft.05-3d_2d_periodic.inp PASS
- 10-hartree_pfft.06-fft-parstates.inp PASS
- 17-recipe.inp PASS
- 19-hgh_soc.01-3d.inp PASS
- 20-dft_u.01-real_mesh.inp PASS
- 20-dft_u.02-real_submesh.inp PASS
- 20-dft_u.03-complex_mesh.inp PASS
- 20-dft_u.04-complex_submesh.inp PASS
- 20-dft_u.05-real_mesh_unpacked.inp PASS
- 20-dft_u.06-real_submesh_unpacked.inp PASS
- 20-dft_u.07-complex_mesh_unpacked.inp PASS
- 20-dft_u.08-complex_submesh_unpacked.inp PASS
- 26-batch_ops.01-jellium.inp PASS
- 26-batch_ops.02-jellium-complex.inp PASS
- 26-batch_ops.03-jellium-spinor.inp PASS
- 27-clock.01.inp PASS
- 28-cgal.01.inp PASS
- 32-hash-tables.01-iihash.inp PASS
- 32-hash-tables.02-sihash.inp PASS
- 32-hash-tables.03-sphash.inp PASS
- 34-regridding.01-samespacing-mixed.inp PASS
- 34-regridding.02-samespacing-parstates.inp PASS
- 34-regridding.03-samespacing-pardomains.inp PASS
- 34-regridding.04-spacing-ratio3-mixed.inp PASS
- 34-regridding.05-spacing-ratio3-parstates.inp PASS
- 34-regridding.06-spacing-ratio3-pardomains.inp PASS
- 34-regridding.07-spacing-ratio3-nearestneighbor-mixed.inp PASS
- 34-regridding.08-spacing-ratio3-nearestneighbor-parstates.inp PASS
- 34-regridding.09-spacing-ratio3-nearestneighbor-pardomains.inp PASS
- 35-helmholtz_decom.01-large_box_no_surf_corr.inp PASS
- 35-helmholtz_decom.02-small_box_no_surf_corr.inp PASS
- 35-helmholtz_decom.03-parallelepiped_small_box_with_surf_corr.inp PASS
- 35-helmholtz_decom.04-cylinder_small_box_with_surf_corr.inp PASS
- 35-helmholtz_decom.05-sphere_small_box_with_surf_corr.inp PASS
- 01-hydrogen.01-ground_state.inp PASS
- 01-hydrogen.02-excited_state.inp PASS
- 01-hydrogen.03-dummy.inp PASS
- 01-hydrogen.04-absorbing_boundaries.inp PASS
- 02-neon_mpi.01-ground_state-IP_par_domains.inp PASS
- 02-neon_mpi.02-ground_state-kli_par_domains.inp PASS
- 02-neon_mpi.03-td_calc-kli_par_states.inp PASS
- 09-morse.01-gs.inp PASS
- 09-morse.02-unocc.inp PASS
- 09-morse.03-td.inp PASS
- 01-quadratic_box.01-ground_state.inp PASS
- 01-quadratic_box.02-hartree.inp PASS
- 01-quadratic_box.03-hartree+xc.inp PASS
- 01-quadratic_box.04-spin_polarized.inp PASS
- 02-fock-darwin.01-ground_state.inp PASS
- 02-fock-darwin.02-ground_state.inp PASS
- 02-fock-darwin.03-ground_state.inp PASS
- 02-fock-darwin.04-ground_state.inp PASS
- 06-gdlib.01-gs.inp PASS
- 09-magnetic_2d.01-no_field.inp PASS
- 09-magnetic_2d.02-gs_gauge_xy.inp PASS
- 09-magnetic_2d.03-gs_gauge_y.inp PASS
- 01-carbon_atom.01-psf_l0.inp PASS
- 01-carbon_atom.02-psf_l1.inp PASS
- 01-carbon_atom.03-static_field.inp PASS
- 01-carbon_atom.04-smear.inp PASS
- 03-magnetic.01-gs-unpolarized.inp PASS
- 03-magnetic.02-td-unpolarized.inp PASS
- 03-magnetic.03-gs-polarized.inp PASS
- 03-magnetic.04-td-polarized.inp PASS
- 03-magnetic.05-gs-spinors.inp PASS
- 03-magnetic.06-td-spinors.inp PASS
- 05-output.01-gs-set1.inp PASS
- 05-output.02-gs.inp PASS
- 05-output.03-convert.inp PASS
- 05-output.04-convert-op.inp PASS
- 06-restart.01-gs_mixrho.inp PASS
- 06-restart.02-restart_gs_mixrho.inp PASS
- 06-restart.03-gs_mixvhxc.inp PASS
- 06-restart.04-restart_gs_mixvhxc.inp PASS
- 06-restart.05-restart_gs.inp PASS
- 06-restart.06-td_calc.inp PASS
- 06-restart.07-restart_td_calc.inp PASS
- 08-spin_orbit_coupling_full.01-hgh.inp PASS
- 08-spin_orbit_coupling_full.02-rkb.inp PASS
- 08-spin_orbit_coupling_full.03-unocc.inp PASS
- 12-forces.01-N2_gs.inp PASS
- 12-forces.02-N2_gs.inp PASS
- 12-forces.03-N2_gs.inp PASS
- 14-fullerene_unpacked.01-gs.inp PASS
- 14-fullerene_unpacked.02-td-unpacked.inp PASS
- 14-fullerene_unpacked.03-td-packed.inp PASS
- 20-eigensolver.01-cg.inp PASS
- 20-eigensolver.03-plan.inp PASS
- 20-eigensolver.04-evolution.inp PASS
- 20-eigensolver.05-rmmdiis.inp PASS
- 20-eigensolver.06-rmmdiis-noscalapack.inp PASS
- 20-eigensolver.07-chebyshev.inp PASS
- 22-preconditioner.01-none.inp PASS
- 22-preconditioner.02-filter.inp PASS
- 22-preconditioner.03-jacobi.inp PASS
- 22-preconditioner.04-multigrid.inp PASS
- 22-preconditioner.05-multigrid_rmmdiis.inp PASS
- 23-go-na2.01-steep.inp PASS
- 23-go-na2.02-simplex.inp PASS
- 23-go-na2.03-fire.inp PASS
- 23-go-na2.04-fire_restart.inp PASS
- 23-go-na2.05-constrains.inp PASS
- 24-o2-spin.01-gs.inp PASS
- 29-pcm_chlorine_anion.01-ground_state-n60.inp PASS
- 29-pcm_chlorine_anion.02-td_prop-n60.inp PASS
- 29-pcm_chlorine_anion.03-ground_state-n60-poisson.inp PASS
- 29-pcm_chlorine_anion.04-ground_state-n240.inp PASS
- 30-local_multipoles.01-gs.inp PASS
- 30-local_multipoles.02-multipoles.inp PASS
- 30-local_multipoles.03-multipoles_restart.inp PASS
- 32-tdpcm_methane.01-ground_state.inp PASS
- 32-tdpcm_methane.02-td_prop_neq.inp PASS
- 32-tdpcm_methane.03-td_prop_eom.inp PASS
- 33-cg.01-orthogonalize_all.inp PASS
- 33-cg.02-additional_terms.inp PASS
- 33-cg.03-cg_direction.inp PASS
- 34-walltime.01-gs_walltime.inp PASS
- 34-walltime.02-restart_gs.inp PASS
- 34-walltime.03-td_walltime.inp PASS
- 34-walltime.04-restart_td.inp PASS
- 36-kli_x.01-gs.inp PASS
- 36-kli_x.02-gs_spinors.inp PASS
- 41-gpu-bug.01-C.inp PASS
- 42-full_potential_anc.01-gs.inp PASS
- 42-full_potential_anc.02-sc-zora.inp PASS
- 42-full_potential_anc.03-sf-zora.inp PASS
- 42-full_potential_anc.04-fr-zora.inp PASS
- 42-full_potential_anc.05-zora-error.inp PASS
- 01-xc_1d.01-wfs-lda.inp PASS
- 01-xc_1d.02-wfs-hf.inp PASS
- 01-xc_1d.lda_csc.inp PASS
- 01-xc_1d.oep_exx.inp PASS
- 01-xc_1d.oep_kli.inp PASS
- 02-xc_2d.01-hartree.inp PASS
- 02-xc_2d.02-hf.inp PASS
- 02-xc_2d.gga_b86.inp PASS
- 02-xc_2d.gga_b86_mgc.inp PASS
- 02-xc_2d.gga_b88.inp PASS
- 02-xc_2d.gga_pbe.inp PASS
- 02-xc_2d.lda_amgb.inp PASS
- 02-xc_2d.lda_prm.inp PASS
- 03-xc.01-gs.inp PASS
- 03-xc.b3lyp_fock.inp PASS
- 03-xc.b3lyp_oep.inp PASS
- 03-xc.exx.inp PASS
- 03-xc.fbex.inp PASS
- 03-xc.gga_c_am05.inp PASS
- 03-xc.gga_c_lm.inp PASS
- 03-xc.gga_c_lyp.inp PASS
- 03-xc.gga_c_p86.inp PASS
- 03-xc.gga_c_pbe.inp PASS
- 03-xc.gga_c_pbe_jrgx.inp PASS
- 03-xc.gga_c_pbe_sol.inp PASS
- 03-xc.gga_c_pw91.inp PASS
- 03-xc.gga_c_xpbe.inp PASS
- 03-xc.gga_x_am05.inp PASS
- 03-xc.gga_x_b86.inp PASS
- 03-xc.gga_x_b86_mgc.inp PASS
- 03-xc.gga_x_b88.inp PASS
- 03-xc.gga_x_bayesian.inp PASS
- 03-xc.gga_x_dk87_r1.inp PASS
- 03-xc.gga_x_dk87_r2.inp PASS
- 03-xc.gga_x_ft97_a.inp PASS
- 03-xc.gga_x_ft97_b.inp PASS
- 03-xc.gga_x_g96.inp PASS
- 03-xc.gga_x_lb.inp PASS
- 03-xc.gga_x_lg93.inp PASS
- 03-xc.gga_x_mpbe.inp PASS
- 03-xc.gga_x_mpw91.inp PASS
- 03-xc.gga_x_optb88_vdw.inp PASS
- 03-xc.gga_x_optpbe_vdw.inp PASS
- 03-xc.gga_x_optx.inp PASS
- 03-xc.gga_x_pbe.inp PASS
- 03-xc.gga_x_pbe_jsjr.inp PASS
- 03-xc.gga_x_pbe_r.inp PASS
- 03-xc.gga_x_pbe_sol.inp PASS
- 03-xc.gga_x_pbea.inp PASS
- 03-xc.gga_x_pbek1_vdw.inp PASS
- 03-xc.gga_x_pw86.inp PASS
- 03-xc.gga_x_pw91.inp PASS
- 03-xc.gga_x_rpbe.inp PASS
- 03-xc.gga_x_wc.inp PASS
- 03-xc.gga_x_xpbe.inp PASS
- 03-xc.gga_xc_b97_d.inp PASS
- 03-xc.gga_xc_edf1.inp PASS
- 03-xc.gga_xc_hcth_120.inp PASS
- 03-xc.gga_xc_hcth_147.inp PASS
- 03-xc.gga_xc_hcth_407.inp PASS
- 03-xc.gga_xc_hcth_93.inp PASS
- 03-xc.gga_xc_mpwlyp1w.inp PASS
- 03-xc.gga_xc_pbe1w.inp PASS
- 03-xc.gga_xc_pbelyp1w.inp PASS
- 03-xc.gga_xc_xlyp.inp PASS
- 03-xc.kli.inp PASS
- 03-xc.lda_c_gl.inp PASS
- 03-xc.lda_c_hl.inp PASS
- 03-xc.lda_c_ob_pw.inp PASS
- 03-xc.lda_c_ob_pz.inp PASS
- 03-xc.lda_c_pw.inp PASS
- 03-xc.lda_c_pw_mod.inp PASS
- 03-xc.lda_c_pz.inp PASS
- 03-xc.lda_c_pz_mod.inp PASS
- 03-xc.lda_c_rpa.inp PASS
- 03-xc.lda_c_vbh.inp PASS
- 03-xc.lda_c_vwn.inp PASS
- 03-xc.lda_c_vwn_rpa.inp PASS
- 03-xc.lda_c_wigner.inp PASS
- 03-xc.lda_c_xalpha.inp PASS
- 03-xc.lda_x.inp PASS
- 03-xc.lda_xc_teter93.inp PASS
- 03-xc.mvorb_hse06_fock.inp PASS
- 03-xc.pbe0_fock.inp PASS
- 03-xc.pbe0_oep.inp PASS
- 03-xc.sic_pz.inp PASS
- 03-xc.slater.inp PASS
- 04-oep.01-jellium-lsda.inp PASS
- 04-oep.02-jellium-exx_kli.inp PASS
- 04-oep.03-jellium-full_exx.inp PASS
- 05-ks_inversion.01-target_density.inp PASS
- 05-ks_inversion.02-two_particle.inp PASS
- 05-ks_inversion.03-inversion.inp PASS
- 06-rdmft.01-ip.inp PASS
- 06-rdmft.02-gs_basis.inp PASS
- 06-rdmft.03-gs_grid.inp PASS
- 07-sic.01-gs.inp PASS
- 08-vdw_ts.01-gs.inp PASS
- 11-vdw_d3.01-gs.inp PASS
- 17-oep-photons.01-kli-spinpolarized.inp PASS
- 17-oep-photons.02-kli.inp PASS
- 17-oep-photons.03-oep.inp PASS
- 18-mgga.01-br89.inp PASS
- 18-mgga.02-br89_oep.inp PASS
- 01-nio.01-U5-gs.inp PASS
- 01-nio.02-unocc.inp PASS
- 02-ACBN0.01-nio.inp PASS
- 02-ACBN0.02-lif.inp PASS
- 05-forces.01-Na2.inp PASS
- 05-forces.02-Na2_go.inp PASS
- 09-basis_from_states.01-lda.inp PASS
- 09-basis_from_states.02-acbn0.inp PASS
- 09-basis_from_states.03-intersite.inp PASS
- 01-casida.01-gs.inp PASS
- 01-casida.02-vib_modes.inp PASS
- 01-casida.03-unocc.inp PASS
- 01-casida.04-unocc_restart.inp PASS
- 01-casida.05-casida.inp PASS
- 01-casida.06-casida_scalapack.inp PASS
- 01-casida.07-casida_elpa.inp PASS
- 01-casida.08-casida_restart.inp PASS
- 01-casida.09-spectrum.inp PASS
- 02-h2o_pol_lr.01_h2o_gs.inp PASS
- 02-h2o_pol_lr.02_h2o_dyn_pol.inp PASS
- 02-h2o_pol_lr.03_h2o_dyn_pol_cmplx.inp PASS
- 02-h2o_pol_lr.04_h2o_susc.inp PASS
- 02-h2o_pol_lr.05_h2o_magn_opt.inp PASS
- 04-vib_modes.01-ground_state.inp PASS
- 04-vib_modes.02-vib_modes.inp PASS
- 04-vib_modes.03-vib_modes_restart.inp PASS
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- 04-tetragonal.37-spg111.inp PASS
- 04-tetragonal.38-spg112.inp PASS
- 04-tetragonal.39-spg113.inp PASS
- 04-tetragonal.40-spg114.inp PASS
- 04-tetragonal.41-spg115.inp PASS
- 04-tetragonal.42-spg116.inp PASS
- 04-tetragonal.43-spg117.inp PASS
- 04-tetragonal.44-spg118.inp PASS
- 04-tetragonal.45-spg119.inp PASS
- 04-tetragonal.46-spg120.inp PASS
- 04-tetragonal.47-spg121.inp PASS
- 04-tetragonal.48-spg122.inp PASS
- 04-tetragonal.49-spg123.inp PASS
- 04-tetragonal.50-spg124.inp PASS
- 04-tetragonal.51-spg125.inp PASS
- 04-tetragonal.52-spg126.inp PASS
- 04-tetragonal.53-spg127.inp PASS
- 04-tetragonal.54-spg128.inp PASS
- 04-tetragonal.55-spg129.inp PASS
- 04-tetragonal.56-spg130.inp PASS
- 04-tetragonal.57-spg131.inp PASS
- 04-tetragonal.58-spg132.inp PASS
- 04-tetragonal.59-spg133.inp PASS
- 04-tetragonal.60-spg134.inp PASS
- 04-tetragonal.61-spg135.inp PASS
- 04-tetragonal.62-spg136.inp PASS
- 04-tetragonal.63-spg137.inp PASS
- 04-tetragonal.64-spg138.inp PASS
- 04-tetragonal.65-spg139.inp PASS
- 04-tetragonal.66-spg140.inp PASS
- 04-tetragonal.67-spg141.inp PASS
- 04-tetragonal.68-spg142.inp PASS
- 05-hexagonal.01-spg143.inp PASS
- 05-hexagonal.02-spg144.inp PASS
- 05-hexagonal.03-spg145.inp PASS
- 05-hexagonal.04-spg146.inp PASS
- 05-hexagonal.05-spg147.inp PASS
- 05-hexagonal.06-spg148.inp PASS
- 05-hexagonal.07-spg149.inp PASS
- 05-hexagonal.08-spg150.inp PASS
- 05-hexagonal.09-spg151.inp PASS
- 05-hexagonal.10-spg152.inp PASS
- 05-hexagonal.11-spg153.inp PASS
- 05-hexagonal.12-spg154.inp PASS
- 05-hexagonal.13-spg155.inp PASS
- 05-hexagonal.14-spg156.inp PASS
- 05-hexagonal.15-spg157.inp PASS
- 05-hexagonal.16-spg158.inp PASS
- 05-hexagonal.17-spg159.inp PASS
- 05-hexagonal.18-spg160.inp PASS
- 05-hexagonal.19-spg161.inp PASS
- 05-hexagonal.20-spg162.inp PASS
- 05-hexagonal.21-spg163.inp PASS
- 05-hexagonal.22-spg164.inp PASS
- 05-hexagonal.23-spg165.inp PASS
- 05-hexagonal.24-spg166.inp PASS
- 05-hexagonal.25-spg167.inp PASS
- 05-hexagonal.26-spg168.inp PASS
- 05-hexagonal.27-spg169.inp PASS
- 05-hexagonal.28-spg170.inp PASS
- 05-hexagonal.29-spg171.inp PASS
- 05-hexagonal.30-spg172.inp PASS
- 05-hexagonal.31-spg173.inp PASS
- 05-hexagonal.32-spg174.inp PASS
- 05-hexagonal.33-spg175.inp PASS
- 05-hexagonal.34-spg176.inp PASS
- 05-hexagonal.35-spg177.inp PASS
- 05-hexagonal.36-spg178.inp PASS
- 05-hexagonal.37-spg179.inp PASS
- 05-hexagonal.38-spg180.inp PASS
- 05-hexagonal.39-spg181.inp PASS
- 05-hexagonal.40-spg182.inp PASS
- 05-hexagonal.41-spg183.inp PASS
- 05-hexagonal.42-spg184.inp PASS
- 05-hexagonal.43-spg185.inp PASS
- 05-hexagonal.44-spg186.inp PASS
- 05-hexagonal.45-spg187.inp PASS
- 05-hexagonal.46-spg188.inp PASS
- 05-hexagonal.47-spg189.inp PASS
- 05-hexagonal.48-spg190.inp PASS
- 05-hexagonal.49-spg191.inp PASS
- 05-hexagonal.50-spg192.inp PASS
- 05-hexagonal.51-spg193.inp PASS
- 05-hexagonal.52-spg194.inp PASS
- 06-cubic.01-spg195.inp PASS
- 06-cubic.02-spg196.inp PASS
- 06-cubic.03-spg197.inp PASS
- 06-cubic.04-spg198.inp PASS
- 06-cubic.05-spg199.inp PASS
- 06-cubic.06-spg200.inp PASS
- 06-cubic.07-spg201.inp PASS
- 06-cubic.08-spg202.inp PASS
- 06-cubic.09-spg203.inp PASS
- 06-cubic.10-spg204.inp PASS
- 06-cubic.11-spg205.inp PASS
- 06-cubic.12-spg206.inp PASS
- 06-cubic.13-spg207.inp PASS
- 06-cubic.14-spg208.inp PASS
- 06-cubic.15-spg209.inp PASS
- 06-cubic.16-spg210.inp PASS
- 06-cubic.17-spg211.inp PASS
- 06-cubic.18-spg212.inp PASS
- 06-cubic.19-spg213.inp PASS
- 06-cubic.20-spg214.inp PASS
- 06-cubic.21-spg215.inp PASS
- 06-cubic.22-spg216.inp PASS
- 06-cubic.23-spg217.inp PASS
- 06-cubic.24-spg218.inp PASS
- 06-cubic.25-spg219.inp PASS
- 06-cubic.26-spg220.inp PASS
- 06-cubic.27-spg221.inp PASS
- 06-cubic.28-spg222.inp PASS
- 06-cubic.29-spg223.inp PASS
- 06-cubic.30-spg224.inp PASS
- 06-cubic.31-spg225.inp PASS
- 06-cubic.32-spg226.inp PASS
- 06-cubic.33-spg227.inp PASS
- 06-cubic.34-spg228.inp PASS
- 06-cubic.35-spg229.inp PASS
- 06-cubic.36-spg230.inp PASS
- 07-symmetrization_lda.01-spg2_sym.inp PASS
- 07-symmetrization_lda.02-spg16_sym.inp PASS
- 07-symmetrization_lda.03-spg75_sym.inp PASS
- 01-octopus_basics-getting_started.01-H_atom.inp PASS
- 01-octopus_basics-getting_started.02-H_atom_spin.inp PASS
- 01-octopus_basics-getting_started.03-H_atom_independent.inp PASS
- 03-octopus_basics-total_energy_convergence.01-N_atom.inp PASS
- 03-octopus_basics-total_energy_convergence.02-methane.inp PASS