Searched defs:gap_and_max_eig_diff_kpoints (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | mp2_grids.F | 1504 CHARACTER(LEN=*), PARAMETER :: routineN = 'gap_and_max_eig_diff_kpoints', & argument
1505 routineP = moduleN//':'//routineN
1507 INTEGER :: handle, homo, ikpgr, ispin, kplocal, &
1508 nmo, nspin
1509 INTEGER, DIMENSION(2) :: kp_range
1510 REAL(KIND=dp) :: e_homo, e_homo_temp, e_lumo, e_lumo_temp
1511 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:) :: e_homo_array, e_lumo_array, &
1513 REAL(KIND=dp), DIMENSION(:), POINTER :: eigenvalues
1514 TYPE(kpoint_env_type), POINTER :: kp
1515 TYPE(kpoint_type), POINTER :: kpoint
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | mp2_weights.F | 1496 CHARACTER(LEN=*), PARAMETER :: routineN = 'gap_and_max_eig_diff_kpoints', & argument
1497 routineP = moduleN//':'//routineN
1499 INTEGER :: handle, homo, ikpgr, ispin, kplocal, &
1500 nmo, nspin
1501 INTEGER, DIMENSION(2) :: kp_range
1502 REAL(KIND=dp) :: e_homo, e_homo_temp, e_lumo, e_lumo_temp
1503 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:) :: e_homo_array, e_lumo_array, &
1505 REAL(KIND=dp), DIMENSION(:), POINTER :: eigenvalues
1506 TYPE(kpoint_env_type), POINTER :: kp
1507 TYPE(kpoint_type), POINTER :: kpoint
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