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Searched refs:eig_read (Results 1 – 17 of 17) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dxas_restart.F119 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:) :: eig_read, occ_read local
210 ALLOCATE (eig_read(nmo_read), occ_read(nmo_read))
211 eig_read = 0.0_dp
214 READ (rst_unit) eig_read(1:nmo_read), occ_read(1:nmo_read)
215 eigenvalues(1:nmo) = eig_read(1:nmo)
224 DEALLOCATE (eig_read, occ_read)
H A Dqs_loc_utils.F1047 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:) :: eig_read, occ_read local
1137 ALLOCATE (eig_read(nmo_read), occ_read(nmo_read))
1138 eig_read = 0.0_dp
1140 READ (rst_unit) eig_read(1:nmo_read), occ_read(1:nmo_read)
1143 ALLOCATE (eig_read(nmo_read))
1144 eig_read = 0.0_dp
1145 READ (rst_unit) eig_read(1:nmo_read)
1158 mos(ispin)%mo_set%eigenvalues(1:nmo) = eig_read(1:nmo)
1160 DEALLOCATE (eig_read, occ_read)
1162 evals(ispin)%array(1:nmo) = eig_read(1:nmo)
[all …]
H A Dqs_mo_io.F691 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:) :: eig_read, occ_read local
788 ALLOCATE (eig_read(nmo_read), occ_read(nmo_read))
789 eig_read = 0.0_dp
802 READ (rst_unit) eig_read(1:nmo_read), occ_read(1:nmo_read)
803 mos(ispin)%mo_set%eigenvalues(1:nmo) = eig_read(1:nmo)
805 DEALLOCATE (eig_read, occ_read)
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dxas_restart.F119 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:) :: eig_read, occ_read local
210 ALLOCATE (eig_read(nmo_read), occ_read(nmo_read))
211 eig_read = 0.0_dp
214 READ (rst_unit) eig_read(1:nmo_read), occ_read(1:nmo_read)
215 eigenvalues(1:nmo) = eig_read(1:nmo)
224 DEALLOCATE (eig_read, occ_read)
H A Dqs_loc_utils.F1019 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:) :: eig_read, occ_read local
1109 ALLOCATE (eig_read(nmo_read), occ_read(nmo_read))
1110 eig_read = 0.0_dp
1112 READ (rst_unit) eig_read(1:nmo_read), occ_read(1:nmo_read)
1115 ALLOCATE (eig_read(nmo_read))
1116 eig_read = 0.0_dp
1117 READ (rst_unit) eig_read(1:nmo_read)
1130 mos(ispin)%mo_set%eigenvalues(1:nmo) = eig_read(1:nmo)
1132 DEALLOCATE (eig_read, occ_read)
1134 evals(ispin)%array(1:nmo) = eig_read(1:nmo)
[all …]
H A Dqs_mo_io.F691 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:) :: eig_read, occ_read local
788 ALLOCATE (eig_read(nmo_read), occ_read(nmo_read))
789 eig_read = 0.0_dp
802 READ (rst_unit) eig_read(1:nmo_read), occ_read(1:nmo_read)
803 mos(ispin)%mo_set%eigenvalues(1:nmo) = eig_read(1:nmo)
805 DEALLOCATE (eig_read, occ_read)
/dports/science/quantum-espresso/q-e-qe-6.7.0/EPW/src/
H A Dio_epw.f90120 USE epwcom, ONLY : nbndsub, vme, eig_read, etf_mem
181 IF (eig_read) OPEN(UNIT = iunksdata, FILE = 'ksdata.fmt')
203 IF (eig_read) WRITE (iunksdata,*) chw_ks(ibnd, jbnd, irk)
253 IF (eig_read) CLOSE(iunksdata)
267 USE epwcom, ONLY : nbndsub, vme, eig_read, etf_mem, lifc
334 IF (eig_read) OPEN(UNIT = iunksdata, FILE = 'ksdata.fmt', STATUS = 'old', IOSTAT = ios)
335 IF (eig_read .AND. ios /= 0) CALL errore ('epw_read', 'error opening ksdata.fmt', iunksdata)
377 IF (eig_read) READ(iunksdata,*) chw_ks(ibnd, jbnd, irk)
403 IF (eig_read) CALL mp_bcast(chw_ks, ionode_id, world_comm)
H A Dephblochkq.f9030 vme, eig_read, ephwrite, nkf1, nkf2, nkf3, &
141 vme, eig_read, ephwrite, nkf1, nkf2, nkf3, &
312 vme, eig_read, ephwrite, nkf1, nkf2, nkf3, &
479 vme, eig_read, ephwrite, nkf1, nkf2, nkf3, &
647 vme, eig_read, ephwrite, nkf1, nkf2, nkf3, &
H A Depwcom.f9084 LOGICAL :: eig_read variable
H A Depw_readin.f9034 num_iter, dis_froz_max, fsthick, dis_froz_min, eig_read, &
134 eig_read, wepexst, epexst, vme, & local
414 eig_read = .FALSE.
H A Dephwann_shuffle_mem.f9034 vme, eig_read, ephwrite, nkf1, nkf2, nkf3, &
418 IF (eig_read) THEN
687 IF (ABS(efnew - ef) * ryd2eV > 0.250d0 .AND. (.NOT. eig_read)) &
1178 IF (eig_read) THEN
1197 IF (eig_read) THEN
H A Delphon_shuffle_wrap.f9049 nbndsub, iswitch, kmaps, eig_read, dvscf_dir, &
259 IF (eig_read) THEN
294 IF (eig_read) THEN
H A Dbcast_epw_input.f9023 eliashberg, elecselfen, eig_read, plselfen, &
106 CALL mp_bcast(eig_read , meta_ionode_id, world_comm)
H A Dephwann_shuffle.f9030 vme, eig_read, ephwrite, nkf1, nkf2, nkf3, &
441 IF (eig_read) THEN
731 IF (ABS(efnew - ef) * ryd2eV > 0.250d0 .AND. (.NOT. eig_read)) &
1261 IF (eig_read) THEN
1280 IF (eig_read) THEN
H A Dwan2bloch.f90873 USE epwcom, ONLY : eig_read, use_ws
963 IF (eig_read) THEN
994 USE epwcom, ONLY : eig_read, use_ws
1188 IF (eig_read) THEN
H A Dgrid.f9032 rand_k, rand_nk, mp_mesh_k, system_2d, eig_read, vme
292 IF (vme .AND. eig_read) THEN
346 rand_k, rand_nk, mp_mesh_k, system_2d, eig_read, vme
553 IF (vme .AND. eig_read) THEN
H A Dpw2wan2epw.f90772 USE epwcom, ONLY : eig_read
815 IF (eig_read) THEN