LatticeParameters
LatticeParameters
Section Mesh::Simulation Box
Type block
The lattice parameters (a, b, c).
This variable is mandatory for periodic systems and is ignored otherwise.
When PeriodicDimensions = 3, a second optional line can be used to
define the angles between the lattice vectors. If the angles are not
provided, then the variable LatticeVectors must be set.
The number of parameters specified in the block must be at least equal
to the number of periodic dimensions, but it is not mandatory to
specify parameters for the non-periodic dimensions (in that case they
are set to 1).
Source information
basic/lattice_vectors.F90 : 196
if (parse_block(namespace, prefix//'LatticeParameters', blk) == 0) then
Featured in tutorials
Featured in testfiles
- components/03-derivatives_3d.03-45deg_cell.inp
- components/03-derivatives_3d.04-aP.inp
- components/03-derivatives_3d.05-mP.inp
- components/03-derivatives_3d.06-mC.inp
- components/03-derivatives_3d.07-oP.inp
- components/03-derivatives_3d.08-oC.inp
- components/03-derivatives_3d.09-oI.inp
- components/03-derivatives_3d.10-oF.inp
- components/03-derivatives_3d.11-tP.inp
- components/03-derivatives_3d.12-tI.inp
- components/03-derivatives_3d.13-hP.inp
- components/03-derivatives_3d.14-hR.inp
- components/03-derivatives_3d.15-cP.inp
- components/03-derivatives_3d.16-cI.inp
- components/03-derivatives_3d.17-cF.inp
- components/03-derivatives_3d.18-cubestencil-aP.inp
- components/03-derivatives_3d.19-cubestencil-mP.inp
- components/03-derivatives_3d.20-cubestencil-mC.inp
- components/03-derivatives_3d.21-cubestencil-oP.inp
- components/03-derivatives_3d.22-cubestencil-oC.inp
- components/03-derivatives_3d.23-cubestencil-oI.inp
- components/03-derivatives_3d.24-cubestencil-oF.inp
- components/03-derivatives_3d.25-cubestencil-tP.inp
- components/03-derivatives_3d.26-cubestencil-tI.inp
- components/03-derivatives_3d.27-cubestencil-hP.inp
- components/03-derivatives_3d.28-cubestencil-hR.inp
- components/03-derivatives_3d.29-cubestencil-cP.inp
- components/03-derivatives_3d.30-cubestencil-cI.inp
- components/03-derivatives_3d.31-cubestencil-cF.inp
- components/05-hartree_3d_fft.03-3d_1d_periodic.inp
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- components/05-hartree_3d_fft.05-3d_2d_periodic.inp
- components/10-hartree_pfft.03-3d_1d_periodic.inp
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- components/20-dft_u.05-real_mesh_unpacked.inp
- components/20-dft_u.06-real_submesh_unpacked.inp
- components/20-dft_u.07-complex_mesh_unpacked.inp
- components/20-dft_u.08-complex_submesh_unpacked.inp
- components/21-hamiltonian_apply.01-Si.inp
- components/22-density_calc.01-Si.inp
- components/24-boundaries.01-jellium.inp
- components/26-batch_ops.01-jellium.inp
- components/26-batch_ops.02-jellium-complex.inp
- components/26-batch_ops.03-jellium-spinor.inp
- components/34-regridding.10-nonorthogonal-aP.inp
- components/34-regridding.11-nonorthogonal-rot45degree.inp
- functionals/03-xc.mvorb_hse06_fock.inp
- functionals/10-vdw_d3_dna.01-gs_novdw.inp
- functionals/10-vdw_d3_dna.02-gs_d3.inp
- functionals/12-vdw_solid_c6.01-gs_diamond.inp
- functionals/12-vdw_solid_c6.02-gs_graphene.inp
- functionals/14-libvdwxc_Be_hcp.01-vdwdfcx.inp
- functionals/22-vdw_d3_stress.01-Be_hpc.inp
- lda_u/01-nio.01-U5-gs.inp
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- lda_u/03-ACBN0_restricted.01-lif.inp
- lda_u/03-ACBN0_restricted.02-lif_unpacked.inp
- lda_u/07-noncollinear.01-U5-gs.inp
- lda_u/07-noncollinear.02-acbn0.inp
- lda_u/08-loewdin.01-Si.inp
- lda_u/08-loewdin.02-intersite.inp
- lda_u/08-loewdin.03-intersite_domains.inp
- lda_u/09-basis_from_states.01-lda.inp
- lda_u/09-basis_from_states.02-acbn0.inp
- lda_u/09-basis_from_states.03-intersite.inp
- lda_u/10-intersite.02-silicon.inp
- periodic_systems/01-free_electrons.01-ground_state.inp
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- 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/04-silicon.01-gs.inp
- periodic_systems/04-silicon.02-kdotp.inp
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- periodic_systems/04-silicon.04-emresp_mo.inp
- periodic_systems/04-silicon.05-emresp_magn.inp
- periodic_systems/05-lithium.01-gs.inp
- periodic_systems/05-lithium.02-td.inp
- periodic_systems/05-lithium.03-td-restart.inp
- periodic_systems/05-lithium.04-dielectric_function.inp
- periodic_systems/05-lithium.05-tdtdm.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/06-h2o_pol_lr.04_emresp_mo.inp
- periodic_systems/06-h2o_pol_lr.05_emresp_susc.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/07-mgga.05-br89_primitive.inp
- periodic_systems/08-benzene_supercell.01-gs.inp
- periodic_systems/09-etsf_io.01-gs.inp
- periodic_systems/10-berkeleygw.01-gs.inp
- periodic_systems/10-berkeleygw.02-unocc.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/14-silicon_shifts.01-gs.inp
- periodic_systems/14-silicon_shifts.02-td.inp
- periodic_systems/14-silicon_shifts.03-td_parstates.inp
- periodic_systems/14-silicon_shifts.04-delayed_kick.inp
- periodic_systems/14-silicon_shifts.05-dielectric_function.inp
- periodic_systems/15-bandstructure.01-gs.inp
- periodic_systems/15-bandstructure.02-unocc.inp
- periodic_systems/15-bandstructure.03-wannier90_setup.inp
- periodic_systems/15-bandstructure.04-wannier90_output.inp
- periodic_systems/15-bandstructure.05-wannier90_states.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/18-TiO2.02-gs_kerker.inp
- periodic_systems/19-unfolding.01-gs.inp
- periodic_systems/19-unfolding.02-setup.inp
- periodic_systems/19-unfolding.03-unocc.inp
- periodic_systems/19-unfolding.04-run.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/22-berry.01-cubic_Si_gs.inp
- periodic_systems/22-berry.02-cubic_Si.inp
- periodic_systems/23-hybrids.01-ace.inp
- periodic_systems/23-hybrids.02-ace_accel.inp
- periodic_systems/23-hybrids.03-Si_pbe0.inp
- periodic_systems/23-hybrids.04-parstates.inp
- periodic_systems/24-hartree_fock_1D.01-gs.inp
- periodic_systems/25-Fe_polarized.01-gs.inp
- periodic_systems/25-Fe_polarized.02-setup.inp
- periodic_systems/25-Fe_polarized.03-unocc.inp
- periodic_systems/25-Fe_polarized.04-unfold.inp
- periodic_systems/26-Na.01-gs.inp
- periodic_systems/26-Na.02-kdotp.inp
- periodic_systems/27-Ar.01-gs.inp
- periodic_systems/27-Ar.02-kdotp.inp
- periodic_systems/27-Ar.03-em_resp_mo.inp
- periodic_systems/28-mgga_kli.01-Si_scan.inp
- periodic_systems/29-soc_solids.01-gs.inp
- periodic_systems/30-stress.01-independent.inp
- periodic_systems/30-stress.02-gamma_point.inp
- periodic_systems/30-stress.03-par_kpoints.inp
- periodic_systems/30-stress.04-kpoint_sym.inp
- periodic_systems/30-stress.05-output_scf.inp
- periodic_systems/31-magnon_1d.01-gs.inp
- periodic_systems/31-magnon_1d.02-td.inp
- periodic_systems/32-photodoping.01-gs.inp
- periodic_systems/33-go_shape.01-Si.inp
- periodic_systems/33-go_shape.02-Si_cell_only.inp
- periodic_systems/33-go_shape.03-Si_par_domains.inp
- periodic_systems/33-go_shape.04_monolayerBN.inp
- photo_electron/13-arpes_2d.01-gs.inp
- photo_electron/13-arpes_2d.02-td.inp
- photo_electron/13-arpes_2d.03-restart.inp
- photo_electron/13-arpes_2d.04-spectrum.inp
- real_time/22-td_move_ions_periodic.01-gs.inp
- real_time/22-td_move_ions_periodic.02-td.inp
- symmetries/01-triclinic.01-spg1.inp
- symmetries/01-triclinic.02-spg2.inp
- symmetries/01-triclinic.16-spg16.inp
- symmetries/02-monoclinic.01-spg3.inp
- symmetries/02-monoclinic.02-spg4.inp
- symmetries/02-monoclinic.03-spg5.inp
- symmetries/02-monoclinic.04-spg6.inp
- symmetries/02-monoclinic.05-spg7.inp
- symmetries/02-monoclinic.06-spg8.inp
- symmetries/02-monoclinic.07-spg9.inp
- symmetries/02-monoclinic.08-spg10.inp
- symmetries/02-monoclinic.09-spg11.inp
- symmetries/02-monoclinic.10-spg12.inp
- symmetries/02-monoclinic.11-spg13.inp
- symmetries/02-monoclinic.12-spg14.inp
- symmetries/02-monoclinic.13-spg15.inp
- symmetries/03-orthorombic.01-spg16.inp
- symmetries/03-orthorombic.02-spg17.inp
- symmetries/03-orthorombic.03-spg18.inp
- symmetries/03-orthorombic.04-spg19.inp
- symmetries/03-orthorombic.05-spg20.inp
- symmetries/03-orthorombic.06-spg21.inp
- symmetries/03-orthorombic.07-spg22.inp
- symmetries/03-orthorombic.08-spg23.inp
- symmetries/03-orthorombic.09-spg24.inp
- symmetries/03-orthorombic.10-spg25.inp
- symmetries/03-orthorombic.11-spg26.inp
- symmetries/03-orthorombic.12-spg27.inp
- symmetries/03-orthorombic.13-spg28.inp
- symmetries/03-orthorombic.14-spg29.inp
- symmetries/03-orthorombic.15-spg30.inp
- symmetries/03-orthorombic.16-spg31.inp
- symmetries/03-orthorombic.17-spg32.inp
- symmetries/03-orthorombic.18-spg33.inp
- symmetries/03-orthorombic.19-spg34.inp
- symmetries/03-orthorombic.20-spg35.inp
- symmetries/03-orthorombic.21-spg36.inp
- symmetries/03-orthorombic.22-spg37.inp
- symmetries/03-orthorombic.23-spg38.inp
- symmetries/03-orthorombic.24-spg39.inp
- symmetries/03-orthorombic.25-spg40.inp
- symmetries/03-orthorombic.26-spg41.inp
- symmetries/03-orthorombic.27-spg42.inp
- symmetries/03-orthorombic.28-spg43.inp
- symmetries/03-orthorombic.29-spg44.inp
- symmetries/03-orthorombic.30-spg45.inp
- symmetries/03-orthorombic.31-spg46.inp
- symmetries/03-orthorombic.32-spg47.inp
- symmetries/03-orthorombic.33-spg48.inp
- symmetries/03-orthorombic.34-spg49.inp
- symmetries/03-orthorombic.35-spg50.inp
- symmetries/03-orthorombic.36-spg51.inp
- symmetries/03-orthorombic.37-spg52.inp
- symmetries/03-orthorombic.38-spg53.inp
- symmetries/03-orthorombic.39-spg54.inp
- symmetries/03-orthorombic.40-spg55.inp
- symmetries/03-orthorombic.41-spg56.inp
- symmetries/03-orthorombic.42-spg57.inp
- symmetries/03-orthorombic.43-spg58.inp
- symmetries/03-orthorombic.44-spg59.inp
- symmetries/03-orthorombic.45-spg60.inp
- symmetries/03-orthorombic.46-spg61.inp
- symmetries/03-orthorombic.47-spg62.inp
- symmetries/03-orthorombic.48-spg63.inp
- symmetries/03-orthorombic.49-spg64.inp
- symmetries/03-orthorombic.50-spg65.inp
- symmetries/03-orthorombic.51-spg66.inp
- symmetries/03-orthorombic.52-spg67.inp
- symmetries/03-orthorombic.53-spg68.inp
- symmetries/03-orthorombic.54-spg69.inp
- symmetries/03-orthorombic.55-spg70.inp
- symmetries/03-orthorombic.56-spg71.inp
- symmetries/03-orthorombic.57-spg72.inp
- symmetries/03-orthorombic.58-spg73.inp
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- symmetries/04-tetragonal.01-spg75.inp
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- symmetries/04-tetragonal.03-spg77.inp
- symmetries/04-tetragonal.04-spg78.inp
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- symmetries/04-tetragonal.19-spg93.inp
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- symmetries/04-tetragonal.21-spg95.inp
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- symmetries/05-hexagonal.14-spg156.inp
- symmetries/05-hexagonal.15-spg157.inp
- symmetries/05-hexagonal.16-spg158.inp
- symmetries/05-hexagonal.17-spg159.inp
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- symmetries/05-hexagonal.21-spg163.inp
- symmetries/05-hexagonal.22-spg164.inp
- symmetries/05-hexagonal.23-spg165.inp
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- symmetries/05-hexagonal.30-spg172.inp
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- symmetries/05-hexagonal.34-spg176.inp
- symmetries/05-hexagonal.35-spg177.inp
- symmetries/05-hexagonal.36-spg178.inp
- symmetries/05-hexagonal.37-spg179.inp
- symmetries/05-hexagonal.38-spg180.inp
- symmetries/05-hexagonal.39-spg181.inp
- symmetries/05-hexagonal.40-spg182.inp
- symmetries/05-hexagonal.41-spg183.inp
- symmetries/05-hexagonal.42-spg184.inp
- symmetries/05-hexagonal.43-spg185.inp
- symmetries/05-hexagonal.44-spg186.inp
- symmetries/05-hexagonal.45-spg187.inp
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- symmetries/05-hexagonal.50-spg192.inp
- symmetries/05-hexagonal.51-spg193.inp
- symmetries/05-hexagonal.52-spg194.inp
- symmetries/06-cubic.01-spg195.inp
- symmetries/06-cubic.02-spg196.inp
- symmetries/06-cubic.03-spg197.inp
- symmetries/06-cubic.04-spg198.inp
- symmetries/06-cubic.05-spg199.inp
- symmetries/06-cubic.06-spg200.inp
- symmetries/06-cubic.07-spg201.inp
- symmetries/06-cubic.08-spg202.inp
- symmetries/06-cubic.09-spg203.inp
- symmetries/06-cubic.10-spg204.inp
- symmetries/06-cubic.11-spg205.inp
- symmetries/06-cubic.12-spg206.inp
- symmetries/06-cubic.13-spg207.inp
- symmetries/06-cubic.14-spg208.inp
- symmetries/06-cubic.15-spg209.inp
- symmetries/06-cubic.16-spg210.inp
- symmetries/06-cubic.17-spg211.inp
- symmetries/06-cubic.18-spg212.inp
- symmetries/06-cubic.19-spg213.inp
- symmetries/06-cubic.20-spg214.inp
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- symmetries/06-cubic.22-spg216.inp
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- symmetries/06-cubic.35-spg229.inp
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- symmetries/07-symmetrization_lda.01-spg2_sym.inp
- symmetries/07-symmetrization_lda.02-spg16_sym.inp
- symmetries/07-symmetrization_lda.03-spg75_sym.inp
- symmetries/08-symmetrization_mgga.01-spg3_sym.inp
- symmetries/09-symmetrization_gga.01-spg143_nosym.inp
- symmetries/09-symmetrization_gga.02-spg143_sym.inp
- symmetries/10-Si_beta_Sn.inp
- tutorials/06-octopus_basics-periodic_systems.01-silicon.inp
- tutorials/06-octopus_basics-periodic_systems.02-silicon_converged.inp
- tutorials/06-octopus_basics-periodic_systems.03-bandstructure.inp