FromScratch
FromScratch
Section Execution
Type logical
Default false
When this variable is set to true, Octopus will perform a
calculation from the beginning, without looking for restart
information.
Source information
main/run.F90 : 211
call parse_variable(namespace, 'FromScratch', .false., from_scratch)
Featured in tutorials
Featured in chapters of the manual:
Featured in testfiles
- errors/01-run_mode.01-one_shot.inp
- finite_systems_1d/01-hydrogen.01-ground_state.inp
- finite_systems_1d/01-hydrogen.02-excited_state.inp
- finite_systems_1d/01-hydrogen.03-dummy.inp
- finite_systems_1d/02-neon_mpi.01-ground_state-IP_par_domains.inp
- finite_systems_1d/02-neon_mpi.03-td_calc-kli_par_states.inp
- finite_systems_1d/09-morse.01-gs.inp
- finite_systems_1d/09-morse.02-unocc.inp
- finite_systems_1d/09-morse.03-td.inp
- finite_systems_2d/01-quadratic_box.01-ground_state.inp
- finite_systems_2d/01-quadratic_box.02-hartree.inp
- finite_systems_2d/01-quadratic_box.03-hartree+xc.inp
- finite_systems_2d/01-quadratic_box.04-spin_polarized.inp
- finite_systems_2d/02-fock-darwin.01-ground_state.inp
- finite_systems_2d/02-fock-darwin.02-ground_state.inp
- finite_systems_2d/02-fock-darwin.03-ground_state.inp
- finite_systems_2d/02-fock-darwin.04-ground_state.inp
- finite_systems_2d/03-helium_atom.01-ground_state.inp
- finite_systems_2d/03-helium_atom.02-ground_state.inp
- finite_systems_2d/04-biot_savart.01-gs.inp
- finite_systems_2d/05-spin_precession.01-ground_state.inp
- finite_systems_2d/05-spin_precession.02-time_propagation.inp
- finite_systems_2d/08-gdlib.01-gs.inp
- finite_systems_2d/09-user_def_box.01-gs.inp
- finite_systems_3d/01-carbon_atom.01-psf_l0.inp
- finite_systems_3d/01-carbon_atom.02-psf_l1.inp
- finite_systems_3d/01-carbon_atom.03-static_field.inp
- finite_systems_3d/01-carbon_atom.04-smear.inp
- finite_systems_3d/02-curvilinear_coordinates.01-gygi.inp
- finite_systems_3d/03-magnetic.01-gs-unpolarized.inp
- finite_systems_3d/03-magnetic.02-td-unpolarized.inp
- finite_systems_3d/03-magnetic.03-gs-polarized.inp
- finite_systems_3d/03-magnetic.04-td-polarized.inp
- finite_systems_3d/03-magnetic.05-gs-spinors.inp
- finite_systems_3d/03-magnetic.06-td-spinors.inp
- finite_systems_3d/04-jellium.01-ground_state.inp
- finite_systems_3d/05-output.01-gs-set1.inp
- finite_systems_3d/05-output.02-gs.inp
- finite_systems_3d/06-restart.01-gs_mixrho.inp
- finite_systems_3d/06-restart.02-restart_gs_mixrho.inp
- finite_systems_3d/06-restart.03-gs_mixvhxc.inp
- finite_systems_3d/06-restart.04-restart_gs_mixvhxc.inp
- finite_systems_3d/06-restart.05-restart_gs.inp
- finite_systems_3d/06-restart.06-td_calc.inp
- finite_systems_3d/06-restart.07-restart_td_calc.inp
- finite_systems_3d/07-spin_orbit_coupling.01-hgh.inp
- finite_systems_3d/07-spin_orbit_coupling.02-rkb.inp
- finite_systems_3d/08-spin_orbit_coupling_full.01-hgh.inp
- finite_systems_3d/08-spin_orbit_coupling_full.02-rkb.inp
- finite_systems_3d/09-spinors.01-ground_state.inp
- finite_systems_3d/09-spinors.02-rmmdiis.inp
- finite_systems_3d/10-fullerene.01-gs.inp
- finite_systems_3d/12-forces.01-N2_gs.inp
- finite_systems_3d/12-forces.02-N2_gs.inp
- finite_systems_3d/13-full_potential_hydrogen.01-gs.inp
- finite_systems_3d/13-full_potential_hydrogen.02-gs-cg.inp
- finite_systems_3d/14-fullerene_unpacked.01-gs.inp
- finite_systems_3d/14-fullerene_unpacked.02-td-unpacked.inp
- finite_systems_3d/14-fullerene_unpacked.03-td-packed.inp
- finite_systems_3d/15-fullerene_stdlcao.01-gs.inp
- finite_systems_3d/16-scfinlcao_std.01-gs.inp
- finite_systems_3d/17-scfinlcao_alt.01-gs.inp
- finite_systems_3d/18-preconditioner_poisson.01-poisson.inp
- finite_systems_3d/20-eigensolver.01-cg.inp
- finite_systems_3d/20-eigensolver.02-cg_new.inp
- finite_systems_3d/20-eigensolver.03-plan.inp
- finite_systems_3d/20-eigensolver.04-evolution.inp
- finite_systems_3d/20-eigensolver.05-rmmdiis.inp
- finite_systems_3d/20-eigensolver.06-rmmdiis-noscalapack.inp
- finite_systems_3d/22-preconditioner.01-none.inp
- finite_systems_3d/22-preconditioner.02-filter.inp
- finite_systems_3d/22-preconditioner.03-jacobi.inp
- finite_systems_3d/22-preconditioner.04-multigrid.inp
- finite_systems_3d/22-preconditioner.05-multigrid_rmmdiis.inp
- finite_systems_3d/23-go-na2.01-steep.inp
- finite_systems_3d/23-go-na2.02-simplex.inp
- finite_systems_3d/23-go-na2.03-fire.inp
- finite_systems_3d/23-go-na2.04-fire_restart.inp
- finite_systems_3d/23-go-na2.05-constrains.inp
- finite_systems_3d/24-o2-spin.01-gs.inp
- finite_systems_3d/28-carbon_big_box.01-ground_state.inp
- finite_systems_3d/29-pcm_chlorine_anion.01-ground_state-n60.inp
- finite_systems_3d/29-pcm_chlorine_anion.02-td_prop-n60.inp
- finite_systems_3d/29-pcm_chlorine_anion.03-ground_state-n60-poisson.inp
- finite_systems_3d/29-pcm_chlorine_anion.04-ground_state-n240.inp
- finite_systems_3d/31-acetylene_b3lyp.01-gs.inp
- finite_systems_3d/32-tdpcm_methane.01-ground_state.inp
- finite_systems_3d/32-tdpcm_methane.02-td_prop_neq.inp
- finite_systems_3d/32-tdpcm_methane.03-td_prop_eom.inp
- finite_systems_3d/33-cg.01-orthogonalize_all.inp
- finite_systems_3d/33-cg.02-additional_terms.inp
- finite_systems_3d/33-cg.03-cg_direction.inp
- finite_systems_3d/34-walltime.01-gs_walltime.inp
- finite_systems_3d/34-walltime.02-restart_gs.inp
- finite_systems_3d/34-walltime.03-td_walltime.inp
- finite_systems_3d/35-slater_x.01-gs.inp
- finite_systems_3d/35-slater_x.02-gs_spinors.inp
- finite_systems_3d/36-kli_x.01-gs.inp
- finite_systems_3d/36-kli_x.02-gs_spinors.inp
- functionals/01-xc_1d.01-wfs-lda.inp
- functionals/02-xc_2d.01-hartree.inp
- functionals/02-xc_2d.02-hf.inp
- functionals/02-xc_2d.lda_prm.inp
- functionals/03-xc.01-gs.inp
- functionals/04-oep.01-jellium-lsda.inp
- functionals/04-oep.03-jellium-full_exx.inp
- functionals/05-ks_inversion.01-target_density.inp
- functionals/05-ks_inversion.02-two_particle.inp
- functionals/05-ks_inversion.03-inversion.inp
- functionals/06-rdmft.01-ip.inp
- functionals/06-rdmft.01-ip.inp
- functionals/07-sic.01-gs.inp
- functionals/08-vdw_ts.01-gs.inp
- functionals/09-vdw_ts_sc.01-gs.inp
- functionals/11-vdw_d3.01-gs.inp
- functionals/12-vdw_solid_c6.01-gs_diamond.inp
- functionals/12-vdw_solid_c6.02-gs_graphene.inp
- functionals/16-dressed-rdmft.01-ip.inp
- functionals/17-oep-photons.01-kli-spinpolarized.inp
- functionals/17-oep-photons.02-kli.inp
- functionals/18-mgga.01-br89.inp
- functionals/18-mgga.02-br89_oep.inp
- lda_u/01-nio.01-U5-gs.inp
- lda_u/01-nio.02-unocc.inp
- lda_u/02-ACBN0.01-nio.inp
- lda_u/02-ACBN0.02-lif.inp
- lda_u/03-ACBN0_restricted.01-lif.inp
- lda_u/03-ACBN0_restricted.02-lif_unpacked.inp
- lda_u/04-ACBN0_isolated.01-H_unpacked.inp
- lda_u/04-ACBN0_isolated.02-H_packed.inp
- lda_u/05-forces.01-Na2.inp
- lda_u/05-forces.02-Na2_go.inp
- lda_u/06-laser.01-gs.inp
- lda_u/06-laser.02-length_gauge.inp
- lda_u/06-laser.03-velocity_gauge.inp
- lda_u/07-noncollinear.01-U5-gs.inp
- lda_u/07-noncollinear.02-acbn0.inp
- lda_u/09-basis_from_states.01-lda.inp
- lda_u/09-basis_from_states.02-acbn0.inp
- lda_u/10-intersite.01-Na2.inp
- lda_u/10-intersite.02-graphite.inp
- lda_u/11-full_delta.01-gs.inp
- linear_response/01-casida.01-gs.inp
- linear_response/01-casida.02-vib_modes.inp
- linear_response/01-casida.03-unocc.inp
- linear_response/01-casida.05-casida.inp
- linear_response/01-casida.06-casida_scalapack.inp
- linear_response/01-casida.07-casida_elpa.inp
- linear_response/01-casida.08-casida_restart.inp
- linear_response/01-casida.09-spectrum.inp
- linear_response/02-h2o_pol_lr.01_h2o_gs.inp
- linear_response/02-h2o_pol_lr.02_h2o_dyn_pol.inp
- linear_response/02-h2o_pol_lr.04_h2o_susc.inp
- linear_response/03-vdw_sternheimer.01-ground_state.inp
- linear_response/03-vdw_sternheimer.02-vdw.inp
- linear_response/04-vib_modes.01-ground_state.inp
- linear_response/04-vib_modes.02-vib_modes.inp
- linear_response/04-vib_modes.03-vib_modes_restart.inp
- linear_response/05-polarizability.01-gs.inp
- linear_response/05-polarizability.02-sternheimer.inp
- linear_response/05-polarizability.03-finite-diff.inp
- linear_response/06-vib_modes_fd.01-ground_state.inp
- linear_response/06-vib_modes_fd.01-vib_modes_fd.inp
- maxwell/07-mode-resolved-maxwell-ks-propagation.01-1D-Helium-ground-state.inp
- maxwell/07-mode-resolved-maxwell-ks-propagation.02-kick-of-the-electronic-subsystem.inp
- modelmb/01-cosh_2e_1d.01-gs.inp
- modelmb/01-cosh_2e_1d.02-td.inp
- modelmb/02-qd_2e_2d.01-gs.inp
- modelmb/02-qd_2e_2d.02-td.inp
- multisystem/01-nested_systems.01-two_levels.inp
- multisystem/01-nested_systems.02-three_levels.inp
- multisystem/01-nested_systems.03-four_levels.inp
- multisystem/02-interaction_graph.01-three_body.inp
- multisystem/03-interactions_creation.01-case1.inp
- multisystem/03-interactions_creation.02-case2.inp
- multisystem/03-interactions_creation.03-case3.inp
- multisystem/03-interactions_creation.04-case4.inp
- multisystem/04-propagation_verlet.01-two_body.inp
- multisystem/04-propagation_verlet.02-three_body.inp
- multisystem/04-propagation_verlet.03-two_body_different_time_steps.inp
- multisystem/04-propagation_verlet.04-three_body_different_time_steps.inp
- multisystem/05-propagation_beeman.01-two_body.inp
- multisystem/05-propagation_beeman.02-three_body.inp
- multisystem/05-propagation_beeman.03-two_body_different_time_steps.inp
- multisystem/05-propagation_beeman.04-three_body_different_time_steps.inp
- multisystem/06-propagation_expmid.01-two_body.inp
- multisystem/06-propagation_expmid.02-three_body.inp
- multisystem/06-propagation_expmid.03-two_body_different_time_steps.inp
- multisystem/06-propagation_expmid.04-three_body_different_time_steps.inp
- multisystem/06-propagation_expmid.05-two_body_verlet_half.inp
- multisystem/06-propagation_expmid.06-two_body_verlet.inp
- multisystem/07-lorentz-force.01-charged_particle_coupled_to_maxwell.inp
- multisystem/07-lorentz-force.02-charger_particle_in_static_efield.inp
- multisystem/08-coulomb_force.01-classical_helium.inp
- multisystem/10-dftbplus_verlet.01-water.inp
- multisystem/11-dftbplus_ehrenfest.01-benzene.inp
- multisystem/12-electronic_subsystem_propagators.01-gs.inp
- multisystem/12-electronic_subsystem_propagators.02-expmid.inp
- multisystem/99-carbon_hydrogen.01-gs.inp
- multisystem/99-carbon_hydrogen.02-td.inp
- optimal_control/01-asym_doublewell.01-ground_state.inp
- optimal_control/01-asym_doublewell.02-unocc.inp
- optimal_control/01-asym_doublewell.03-oct_run.inp
- optimal_control/01-asym_doublewell.04-oct_run.inp
- optimal_control/01-asym_doublewell.05-oct_run.inp
- optimal_control/02-sym_doublewell.01-ground_state.inp
- optimal_control/02-sym_doublewell.02-unocc.inp
- optimal_control/02-sym_doublewell.03-oct.inp
- optimal_control/03-localtarget.01-gs.inp
- optimal_control/03-localtarget.02-oct.inp
- optimal_control/03-localtarget.03-tdoct.inp
- optimal_control/03-localtarget.04-gs-mp.inp
- optimal_control/03-localtarget.05-oct-mp.inp
- optimal_control/04-box.01-ground_state.inp
- optimal_control/04-box.02-unocc.inp
- optimal_control/04-box.03-oct_long.inp
- optimal_control/04-box.04-oct_long.inp
- optimal_control/04-box.05-oct_long.inp
- optimal_control/04-box.06-oct_long.inp
- optimal_control/04-box.07-oct_long.inp
- optimal_control/04-box.08-oct_long.inp
- optimal_control/05-adw.01-ground_state.inp
- optimal_control/05-adw.02-unocc.inp
- optimal_control/05-adw.03-filter_fixed.inp
- optimal_control/05-adw.04-filter_indirect.inp
- optimal_control/06-zbr98.01-ground_state.inp
- optimal_control/06-zbr98.02-oct.inp
- optimal_control/07-qoct+tddft.01-ground_state.inp
- optimal_control/07-qoct+tddft.02-oct.inp
- optimal_control/08-velocities.01-ground_state.inp
- optimal_control/08-velocities.02-oct.inp
- optimal_control/09-density+current.01-ground_state.inp
- optimal_control/09-density+current.02-oct.inp
- optimal_control/09-density+current.03-tdoct.inp
- optimal_control/10-current.01-ground_state.inp
- optimal_control/10-current.02-oct.inp
- optimal_control/11-classical.01-ground_state.inp
- optimal_control/11-classical.02-oct.inp
- optimal_control/11-classical.03-oct_taylor.inp
- optimal_control/12-spintarget.01-ground_state.inp
- optimal_control/12-spintarget.02-oct.inp
- optimal_control/13-box-nlopt.03-bobyqa.inp
- optimal_control/13-box-nlopt.04-lbfgs.inp
- periodic_systems/01-free_electrons.01-ground_state.inp
- periodic_systems/01-free_electrons.02-unocc.inp
- periodic_systems/02-cosine_potential.01-ground_state.inp
- periodic_systems/02-cosine_potential.02-unocc.inp
- periodic_systems/03-sodium_chain.01-ground_state.inp
- periodic_systems/03-sodium_chain.02-unocc.inp
- periodic_systems/03-sodium_chain.03-ground_state_disp.inp
- periodic_systems/03-sodium_chain.04-unocc_disp.inp
- periodic_systems/06-h2o_pol_lr.01_gs.inp
- periodic_systems/06-h2o_pol_lr.02_kdotp.inp
- periodic_systems/06-h2o_pol_lr.03_emresp.inp
- periodic_systems/07-mgga.01-tb09_gs_symm.inp
- periodic_systems/07-mgga.02-tb09_gs_nosymm.inp
- periodic_systems/07-mgga.03-tb09_td.inp
- periodic_systems/07-mgga.04-br89_gs.inp
- periodic_systems/08-benzene_supercell.01-gs.inp
- periodic_systems/11-silicon_force.01-gs.inp
- periodic_systems/11-silicon_force.02-nlcc.inp
- periodic_systems/11-silicon_force.03-nosym.inp
- periodic_systems/12-boron_nitride.01-gs.inp
- periodic_systems/12-boron_nitride.02-gs_gamma.inp
- periodic_systems/13-primitive.01-diamond.inp
- periodic_systems/13-primitive.02-graphene.inp
- periodic_systems/13-primitive.03-bcc_iron.inp
- periodic_systems/16-sodium_chain_cylinder.01-ground_state.inp
- periodic_systems/16-sodium_chain_cylinder.02-unocc.inp
- periodic_systems/16-sodium_chain_cylinder.03-ground_state_disp.inp
- periodic_systems/16-sodium_chain_cylinder.04-unocc_disp.inp
- periodic_systems/17-aluminium.01-gs.inp
- periodic_systems/17-aluminium.02-td.inp
- periodic_systems/17-aluminium.03-conductivity.inp
- periodic_systems/18-TiO2.01-gs.inp
- periodic_systems/20-masked_periodic_boundaries.01-graphene.inp
- periodic_systems/21-magnon.01-gs.inp
- periodic_systems/21-magnon.02-td.inp
- periodic_systems/21-magnon.03-susceptibility.inp
- periodic_systems/23-hybrids.01-ace.inp
- periodic_systems/23-hybrids.02-ace_accel.inp
- photo_electron/01-h1d_lin.01-mask.inp
- photo_electron/01-h1d_lin.02-ba.inp
- photo_electron/02-restart.01-ba.inp
- photo_electron/02-restart.02-restart_ba.inp
- photo_electron/03-h1d_ati.01.inp
- photo_electron/04-nfft.01-ba.inp
- photo_electron/04-nfft.02-ati.inp
- photo_electron/05-pfft.01-gs.inp
- photo_electron/05-pfft.02-mask.inp
- photo_electron/05-pfft.03-ba.inp
- photo_electron/06-2D.01-Na_gs.inp
- photo_electron/06-2D.02-Na_few_cy.inp
- photo_electron/07-flux_1d.01-h1d_lin.inp
- photo_electron/07-flux_1d.02-h1d_ati.inp
- photo_electron/09-flux_3d.01-Na_gs_sph.inp
- photo_electron/09-flux_3d.02-Na_td_sph.inp
- photo_electron/09-flux_3d.03-Na_gs_cub.inp
- photo_electron/09-flux_3d.04-Na_td_cub.inp
- photo_electron/10-spm_1d.h1d_lin.inp
- photo_electron/12-spm_3d.01-Na_gs.inp
- photo_electron/12-spm_3d.02-Na_td.inp
- pseudopotentials/01-sg15-h.01-gs.inp
- pseudopotentials/03-nlcc.01-Fatom.inp
- pseudopotentials/04-carbon_dojo_psml.01-gs.inp
- pseudopotentials/05-carbon_dojo_pbesol.01-gs.inp
- pseudopotentials/06-carbon_dojo_pbe.01-gs.inp
- pseudopotentials/07-carbon_dojo_lda.01-gs.inp
- pseudopotentials/08-carbon_fhi.01-gs.inp
- pseudopotentials/08-carbon_fhi.01-gs.inp
- pseudopotentials/09-carbon_cpi.01-gs.inp
- pseudopotentials/09-carbon_cpi.01-gs.inp
- pseudopotentials/14-carbon_dojo_psp8.01-gs.inp
- pseudopotentials/15-calcium_psp8_sic.01-gs.inp
- pseudopotentials/16-platinum_psp8.01-gs.inp
- pseudopotentials/17-lithium_automatic.01-gs.inp
- pseudopotentials/17-lithium_automatic.02-gs_tol.inp
- real_time/01-propagators.01-gs.inp
- real_time/01-propagators.02-expmid.inp
- real_time/01-propagators.03-etrs_taylor.inp
- real_time/01-propagators.04-etrs_lanczos.inp
- real_time/01-propagators.05-etrs_chebyshev.inp
- real_time/01-propagators.06-aetrs.inp
- real_time/01-propagators.07-caetrs.inp
- real_time/01-propagators.08-cn.inp
- real_time/01-propagators.09-magnus.inp
- real_time/01-propagators.10-exprk4.inp
- real_time/01-propagators.11-cfmagnus4.inp
- real_time/02-propagators.01-gs.inp
- real_time/02-propagators.02-cnsparskit.inp
- real_time/02-propagators.03-rungekutta2.inp
- real_time/02-propagators.04-rungekutta4.inp
- real_time/03-td_self_consistent.01-gs.inp
- real_time/03-td_self_consistent.02-etrs.inp
- real_time/06-caetrs.01-gs.inp
- real_time/06-caetrs.02-kick.inp
- real_time/06-caetrs.03-kick-tp1.inp
- real_time/06-caetrs.04-kick-tp2.inp
- real_time/08-laser.01-ground_state.inp
- real_time/08-laser.02-length_gauge.inp
- real_time/08-laser.03-velocity_gauge.inp
- real_time/08-laser.04-velocity_gauge_cheby.inp
- real_time/08-laser.05-forces.inp
- real_time/09-angular_momentum.01-gs.inp
- real_time/09-angular_momentum.02-td_gipaw.inp
- real_time/09-angular_momentum.03-td_icl.inp
- real_time/10-bomd.01-gs.inp
- real_time/10-bomd.02-td.inp
- real_time/11-tdmagnetic.01-gs.inp
- real_time/11-tdmagnetic.02-unocc.inp
- real_time/11-tdmagnetic.03-td.inp
- real_time/12-absorption.01-gs.inp
- real_time/12-absorption.02-td.inp
- real_time/13-absorption-spin.01-gs.inp
- real_time/13-absorption-spin.02-td.inp
- real_time/13-absorption-spin.04-spectrum.inp
- real_time/13-absorption-spin.05-spectrum_compressed_sensing.inp
- real_time/13-absorption-spin.06-td_spinkick.inp
- real_time/13-absorption-spin.07-spectrum_triplet.inp
- real_time/14-absorption-spinors.01-gs.inp
- real_time/14-absorption-spinors.02-td.inp
- real_time/15-crank_nicolson.01-gs.inp
- real_time/15-crank_nicolson.02-kick.inp
- real_time/15-crank_nicolson.03-freeze_domains.inp
- real_time/15-crank_nicolson.04-freeze_states.inp
- real_time/16-sparskit.01-gs.inp
- real_time/16-sparskit.02-kick.inp
- real_time/17-absorption-spin_symmetry.01-gs.inp
- real_time/17-absorption-spin_symmetry.02-td.inp
- real_time/17-absorption-spin_symmetry.02-td.inp
- real_time/18-hhg.01-gs.inp
- real_time/18-hhg.02-td.inp
- real_time/20-pcm-local-field-absorption.01-gs.inp
- real_time/20-pcm-local-field-absorption.02-td_prop_eom.inp
- real_time/21-scissor.01-gs.inp
- real_time/21-scissor.02-td.inp
- tutorials/03-octopus_basics-total_energy_convergence.02-methane.inp
- tutorials/07-octopus_basics-time_dependent_propagation.03-td_laser.inp