[pw_b3lyp/] program = PW inputs_args = ('b3lyp-O.in', ''), ('b3lyp-h2o.in','') [pw_berry/] program = PW inputs_args = ('berry.in', ''), ('berry-1.in', ''), ('berry-2.in','') [pw_noncolin/] program = PW inputs_args = ('noncolin.in' ,''), ('noncolin-1.in' ,''), ('noncolin-2.in' ,''), ('noncolin-cg.in' ,''), ('noncolin-constrain_angle.in' ,''), ('noncolin-constrain_atomic.in' ,''), ('noncolin-constrain_total.in' ,''), ('noncolin-hyb.in' ,'') [pw_metal/] program = PW inputs_args = ('metal.in' ,''), ('metal-2.in' ,''), ('metal-fermi_dirac.in' ,''), ('metal-gaussian.in' ,''), ('metal-tetrahedra-2.in' ,''), ('metal-tetrahedra.in' ,'') [pw_scf/] program = PW inputs_args = ('scf.in' ,''), ('scf-1.in' ,''), ('scf-2.in' ,''), ('scf-allfrac.in' ,''), ('scf-cg.in' ,''), ('scf-disk_io.in' ,''), ('scf-disk_io-1.in' ,''), ('scf-disk_io-2.in' ,''), ('scf-gamma.in' ,''), ('scf-k0.in' ,''), ('scf-kauto.in' ,''), ('scf-kcrys.in' ,''), ('scf-mixing_TF.in' ,''), ('scf-mixing_beta.in' ,''), ('scf-mixing_localTF.in' ,''), ('scf-mixing_ndim.in' ,''), ('scf-ncpp.in' ,''), ('scf-nofrac.in' ,''), ('scf-occ.in' ,''), ('scf-wf_collect.in' ,'') [pw_spinorbit/] program = PW inputs_args = ('spinorbit.in' ,''), ('spinorbit-1.in' ,''), ('spinorbit-3.in' ,'') [pw_uspp/] program = PW inputs_args = ('uspp.in' ,''), ('uspp-2.in' ,''), ('uspp-cg.in' ,''), ('uspp-hyb-g.in' ,''), ('uspp-hyb-k.in' ,''), ('uspp-mixing_TF.in' ,''), ('uspp-mixing_localTF.in' ,''), ('uspp-mixing_ndim.in' ,''), ('uspp-singlegrid.in' ,''), ('uspp1-coulomb.in' ,''), ('uspp1.in' ,''), ('uspp2.in' ,'') [pw_lsda/] program = PW inputs_args = ('lsda.in', ''), ('lsda-2.in', ''), ('lsda-cg.in', ''), ('lsda-mixing_localTF.in', ''), ('lsda-mixing_ndim.in', ''), ('lsda-mixing_TF.in', ''), ('lsda-nelup+neldw.in', ''), ('lsda-tot_magnetization.in', '') [ph_base/] program = PH inputs_args = ('c.scf.in', '1'), ('c.phG.in', '2'), ('ni.scf.in', '1'), ('ni.phX.in', '2'), ('si.scf.in', '1'), ('si.phG.in', '2'), ('si.phX.in', '2') [epw_base/] program = EPW inputs_args = ('scf.in', '1'), ('ph.in', '2'), ('scf_epw.in', '1'), ('nscf_epw.in', '1'), ('epw1.in', '3'), ('epw2.in', '3'), ('epw3.in', '3') [epw_trev/] program = EPW inputs_args = ('scf.in', '1'), ('ph.in', '2'), ('scf_epw.in', '1'), ('nscf_epw.in', '1'), ('epw.in', '3') [epw_metal/] program = EPW inputs_args = ('scf_epw.in', '1'), ('nscf_epw.in', '1'), ('epw.in', '3') [epw_soc/] program = EPW inputs_args = ('scf_epw.in', '1'), ('nscf_epw.in', '1'), ('epw.in', '3') [epw_super/] program = EPW inputs_args = ('scf.in', '1'), ('ph.in', '2'), ('scf_epw.in', '1'), ('nscf_epw.in', '1'), ('epw_iso.in', '3'), ('epw_aniso.in', '3'), [tddfpt_CH4/] program = TDDFPT inputs_args = ('CH4.pw-in', '1'), ('CH4.tddfpt-in', '2'), ('CH4.tddfpt_pp-in', '3'), [tddfpt_eels-si/] program = TDDFPT inputs_args = ('Si.pw-in', '1'), ('Si.tddfpt-eels-in', '5'), ('Si.tddfpt_pp_eels-in', '4'), [pw_*/] program = PW [cp_*/] program = CP [ph_*/] program = PH [epw_*/] program = EPW [tddfpt_*/] program = TDDFPT [categories] pw_all = pw_*?? cp_all = cp_*?? ph_all = ph_*?? epw_all = epw_*?? tddfpt_all = tddfpt_*?? _default_ = pw_*?? cp_*?? ph_*?? epw_*?? tddfpt_*??