Searched defs:negf_homo_energy_estimate (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | negf_env_types.F | 995 SUBROUTINE negf_homo_energy_estimate(homo_energy, qs_env) subroutine
999 CHARACTER(LEN=*), PARAMETER :: routineN = 'negf_homo_energy_estimate', & argument
1000 routineP = moduleN//':'//routineN
1003 INTEGER :: handle, homo, ikpgr, ikpoint, imo, &
1004 ispin, kplocal, nmo, nspins
1005 INTEGER, DIMENSION(2) :: kp_range
1009 TYPE(cp_para_env_type), POINTER :: para_env, para_env_kp
1010 TYPE(kpoint_env_p_type), DIMENSION(:), POINTER :: kp_env
1011 TYPE(kpoint_type), POINTER :: kpoints
1012 TYPE(mo_set_p_type), DIMENSION(:), POINTER :: mos
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | negf_env_types.F | 995 SUBROUTINE negf_homo_energy_estimate(homo_energy, qs_env) subroutine
999 CHARACTER(LEN=*), PARAMETER :: routineN = 'negf_homo_energy_estimate', & argument
1000 routineP = moduleN//':'//routineN
1003 INTEGER :: handle, homo, ikpgr, ikpoint, imo, &
1004 ispin, kplocal, nmo, nspins
1005 INTEGER, DIMENSION(2) :: kp_range
1009 TYPE(cp_para_env_type), POINTER :: para_env, para_env_kp
1010 TYPE(kpoint_env_p_type), DIMENSION(:), POINTER :: kp_env
1011 TYPE(kpoint_type), POINTER :: kpoints
1012 TYPE(mo_set_p_type), DIMENSION(:), POINTER :: mos
[all …]
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