Searched refs:n_starting_wfc (Results 1 – 4 of 4) sorted by relevance
/dports/science/quantum-espresso/q-e-qe-6.7.0/PW/src/ |
H A D | atomic_wfc.f90 | 83 n_starting_wfc = 0 190 n_starting_wfc = n_starting_wfc + 1 191 IF (n_starting_wfc > natomwfc) CALL errore & 207 wfcatom(:,is,n_starting_wfc) = (0.d0,0.d0) 264 n_starting_wfc = n_starting_wfc + 1 302 n_starting_wfc = n_starting_wfc + 2*l+1 319 n_starting_wfc = n_starting_wfc + 1 357 n_starting_wfc = n_starting_wfc + 2*l+1 367 n_starting_wfc = n_starting_wfc + 1 368 IF ( n_starting_wfc > natomwfc) CALL errore & [all …]
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H A D | wfcinit.f90 | 223 INTEGER :: ibnd, ig, ipol, n_starting_wfc, n_starting_atomic_wfc local 234 n_starting_wfc = MAX( natomwfc, nbnd ) 239 n_starting_wfc = nbnd 251 ALLOCATE( wfcatom( npwx, npol, n_starting_wfc ) ) 260 n_starting_wfc == n_starting_atomic_wfc ) THEN 290 DO ibnd = n_starting_atomic_wfc + 1, n_starting_wfc 320 ALLOCATE( etatom( n_starting_wfc ) ) 324 CALL allocate_bec_type ( nkb, n_starting_wfc, becp, intra_bgrp_comm ) 338 CALL rotate_wfc ( npwx, ngk(ik), n_starting_wfc, gstart, nbnd, wfcatom, npol, okvan, evc, etatom )
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H A D | plus_u_full.f90 | 316 INTEGER :: n_starting_wfc, lmax_wfc, nt, l, nb, na, m, lm, ig, iig, & local 355 n_starting_wfc = 0 420 IF (n_starting_wfc /= natomwfc) CALL errore( 'atomic_wfc_nc_updown', & 478 n_starting_wfc = n_starting_wfc + 1 480 IF (n_starting_wfc + 2*l+1 > natomwfc) CALL errore & 488 wfcatom(ig,1,n_starting_wfc) = aux(ig) 489 wfcatom(ig,2,n_starting_wfc) = 0.d0 491 wfcatom(ig,1,n_starting_wfc+2*l+1) = 0.d0 492 wfcatom(ig,2,n_starting_wfc+2*l+1) = aux(ig) 497 n_starting_wfc = n_starting_wfc + 2*l+1
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/dports/science/quantum-espresso/q-e-qe-6.7.0/PP/src/ |
H A D | atomic_wfc_nc_proj.f90 | 75 n_starting_wfc = 0 173 n_starting_wfc = n_starting_wfc + 1 174 IF (n_starting_wfc > natomwfc) CALL errore & 190 wfcatom (:,is,n_starting_wfc) = (0.d0,0.d0) 213 n_starting_wfc = n_starting_wfc + 1 214 IF (n_starting_wfc > natomwfc) CALL errore & 244 n_starting_wfc = n_starting_wfc + 1 252 wfcatom(ig,1,n_starting_wfc) = aux(ig) 253 wfcatom(ig,2,n_starting_wfc) = (0.0_dp, 0.0_dp) 256 wfcatom(ig,2,n_starting_wfc+2*l+1) = aux(ig) [all …]
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