Radius
Radius
Section Mesh::Simulation Box
Type float
Defines the radius for BoxShape = sphere,
cylinder, or minimum. Must be a positive
number. If not specified, the code will look for values in
the Species block, or, from the default
pseudopotential parameters. In these cases, for
minimum, a different radius is used for each
species, while for other shapes, the maximum radius is used.
Source information
ions/simul_box.F90 : 245
call parse_variable(namespace, 'radius', default, rsize, units_inp%length)
Featured in tutorials
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- components/04-hartree_3d_cg.01-cg_corrected.inp
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- components/06-hartree_3d_isf.01-isf.inp
- components/07-cholesky_serial.01-real.inp
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- components/16-hartree_3d_psolver.01-psolver.inp
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- components/18-interpolation.01-1d.inp
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- components/19-hgh_soc.01-3d.inp
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- 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_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
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- finite_systems_3d/03-magnetic.03-gs-polarized.inp
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- 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
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- finite_systems_3d/05-output.03-convert.inp
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- finite_systems_3d/06-restart.01-gs_mixrho.inp
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- 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/08-spin_orbit_coupling_full.03-unocc.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/12-forces.03-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
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- finite_systems_3d/22-preconditioner.01-none.inp
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- finite_systems_3d/22-preconditioner.04-multigrid.inp
- finite_systems_3d/22-preconditioner.05-multigrid_rmmdiis.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/30-local_multipoles.01-gs.inp
- finite_systems_3d/30-local_multipoles.02-multipoles.inp
- finite_systems_3d/30-local_multipoles.03-multipoles_restart.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
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- 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/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
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- functionals/01-xc_1d.lda_csc.inp
- functionals/01-xc_1d.oep_exx.inp
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- functionals/02-xc_2d.01-hartree.inp
- functionals/02-xc_2d.02-hf.inp
- functionals/02-xc_2d.gga_b86.inp
- functionals/02-xc_2d.gga_b86_mgc.inp
- functionals/02-xc_2d.gga_b88.inp
- functionals/02-xc_2d.gga_pbe.inp
- functionals/02-xc_2d.lda_amgb.inp
- functionals/02-xc_2d.lda_prm.inp
- functionals/04-oep.01-jellium-lsda.inp
- functionals/04-oep.02-jellium-exx_kli.inp
- functionals/04-oep.03-jellium-full_exx.inp
- functionals/06-rdmft.01-ip.inp
- functionals/06-rdmft.02-gs_basis.inp
- functionals/06-rdmft.03-gs_grid.inp
- functionals/07-sic.01-gs.inp
- functionals/18-mgga.01-br89.inp
- functionals/18-mgga.02-br89_oep.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/10-intersite.01-Na2.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.04-unocc_restart.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/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/06-vib_modes_fd.01-ground_state.inp
- linear_response/06-vib_modes_fd.01-vib_modes_fd.inp
- linear_response/08-sternheimer-photons.01-gs.inp
- linear_response/08-sternheimer-photons.02-em_resp.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
- 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
- multisystem/99-carbon_hydrogen.03-td_restart.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/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
- 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/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/02-cu2_hgh.01_gs.inp
- pseudopotentials/02-cu2_hgh.02_gs_current.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/09-carbon_cpi.01-gs.inp
- pseudopotentials/10-helium_upf.01-gs_nofilter.inp
- pseudopotentials/10-helium_upf.02-gs_filter_ts.inp
- pseudopotentials/10-helium_upf.03-gs_filter_bsb.inp
- pseudopotentials/11-isotopes.01-deuterium.inp
- pseudopotentials/11-isotopes.02-tritium.inp
- pseudopotentials/12-mix_and_match.01-mgo.inp
- pseudopotentials/13-U235.01-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
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- real_time/01-propagators.10-exprk4.inp
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- 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
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- real_time/06-caetrs.03-kick-tp1.inp
- real_time/06-caetrs.04-kick-tp2.inp
- real_time/08-laser.01-ground_state.inp
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- 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/10-bomd.01-gs.inp
- real_time/10-bomd.02-td.inp
- real_time/10-bomd.03-td_restart.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/12-absorption.03-td-restart.inp
- real_time/13-absorption-spin.01-gs.inp
- real_time/13-absorption-spin.02-td.inp
- real_time/13-absorption-spin.03-td-restart.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/14-absorption-spinors.03-td-restart.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/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/02-octopus_basics-basic_input_options.01-N_atom.inp
- tutorials/03-octopus_basics-total_energy_convergence.01-N_atom.inp
- tutorials/03-octopus_basics-total_energy_convergence.02-methane.inp
- tutorials/04-octopus_basics-visualization.01-benzene.inp
- tutorials/07-octopus_basics-time_dependent_propagation.01-gs.inp
- tutorials/07-octopus_basics-time_dependent_propagation.02-td.inp
- tutorials/07-octopus_basics-time_dependent_propagation.03-td_laser.inp