Searched defs:qs_moment_berry_phase (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_moments.F | 946 CHARACTER(LEN=*), PARAMETER :: routineN = 'qs_moment_berry_phase', & argument
951 COMPLEX(dp) :: xphase(3), zdet, zdeta, zi(3), &
953 zijkl(3, 3, 3, 3), zphase(3), zz
954 INTEGER :: handle, i, ia, idim, ikind, ispin, ix, &
955 iy, iz, j, k, l, nao, nm, nmo, nmom, &
956 nmotot, tmp_dim
957 LOGICAL :: floating, ghost, uniform
958 REAL(dp) :: charge, ci(3), cij(3, 3), dd, occ, trace
961 REAL(dp), DIMENSION(3) :: kvec, qq, rcc, ria
965 TYPE(cp_fm_p_type), DIMENSION(:), POINTER :: mos_new, opvec
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_moments.F | 1243 CHARACTER(LEN=*), PARAMETER :: routineN = 'qs_moment_berry_phase', & argument
1248 COMPLEX(dp) :: xphase(3), zdet, zdeta, zi(3), &
1250 zijkl(3, 3, 3, 3), zphase(3), zz
1251 INTEGER :: handle, i, ia, idim, ikind, ispin, ix, &
1252 iy, iz, j, k, l, nao, nm, nmo, nmom, &
1253 nmotot, tmp_dim
1254 LOGICAL :: floating, ghost, uniform
1255 REAL(dp) :: charge, ci(3), cij(3, 3), dd, occ, trace
1258 REAL(dp), DIMENSION(3) :: kvec, qq, rcc, ria
1262 TYPE(cp_fm_p_type), DIMENSION(:), POINTER :: mos_new, opvec
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