| /dports/science/quantum-espresso/q-e-qe-6.7.0/LR_Modules/ |
| H A D | set_dbecsum_nc.f90 | 81 fac=dbecsum_nc(kh,lh,na,ijs,mode)
141 dbecsum_nc(ih,ih,na,1,mode)+dbecsum_nc(ih,ih,na,4,mode)
144 dbecsum_nc(ih,ih,na,2,mode)+ &
145 dbecsum_nc(ih,ih,na,3,mode)
148 dbecsum_nc(ih,ih,na,3,mode) )
150 dbecsum_nc(ih,ih,na,1,mode)-dbecsum_nc(ih,ih,na,4,mode)
155 dbecsum_nc(ih,jh,na,1,mode)+dbecsum_nc(ih,jh,na,4,mode) &
156 +dbecsum_nc(jh,ih,na,1,mode)+dbecsum_nc(jh,ih,na,4,mode)
162 dbecsum_nc(jh,ih,na,3,mode)
169 dbecsum_nc(ih,jh,na,1,mode)-dbecsum_nc(ih,jh,na,4,mode)+&
[all …]
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| H A D | addusdbec_nc.f90 | 33 COMPLEX(DP) :: dbecsum_nc (nhm,nhm,nat,nspin), dpsi(npwx*npol,nbnd) local
100 dbecsum_nc(ih,jh,na,ijs)=dbecsum_nc(ih,jh,na,ijs)+&
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| /dports/science/quantum-espresso/q-e-qe-6.7.0/TDDFPT/src/ |
| H A D | lr_calc_dens_eels_nc.f90 | 50 COMPLEX(DP), ALLOCATABLE :: drhoscfh(:,:), dbecsum(:,:,:), dbecsum_nc(:,:,:,:) local
67 ALLOCATE (dbecsum_nc(nhm,nhm,nat,nspin))
69 dbecsum_nc(:,:,:,:) = (0.0d0, 0.0d0)
92 CALL incdrhoscf_nc(drhoscfh(:,:), weight, ik, dbecsum_nc(:,:,:,:), dpsi(:,:,ik),1.0d0)
110 CALL mp_sum (dbecsum_nc, intra_bgrp_comm)
115 CALL set_dbecsum_nc(dbecsum_nc, dbecsum, 1)
143 DEALLOCATE (dbecsum_nc)
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| H A D | lr_sternheimer.f90 | 107 dbecsum_nc(:,:,:,:,:), & ! the becsum with dpsi local
155 IF (noncolin) ALLOCATE (dbecsum_nc (nhm, nhm, nat, nspin, 1))
237 IF (noncolin) dbecsum_nc = (0.0d0, 0.0d0)
498 dbecsum_nc(1,1,1,1,ipol), dpsi, 1.0d0)
519 CALL mp_sum ( dbecsum_nc, intra_bgrp_comm )
531 IF (noncolin.and.okvan) CALL set_dbecsum_nc(dbecsum_nc, dbecsum, 1)
718 if (noncolin) deallocate(dbecsum_nc)
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| /dports/science/quantum-espresso/q-e-qe-6.7.0/PHonon/PH/ |
| H A D | drho.f90 | 70 drhoust (:,:,:), dbecsum(:,:,:,:), dbecsum_nc(:,:,:,:,:) local
127 allocate (dbecsum_nc( nhm, nhm, nat, nspin, 3 * nat))
128 dbecsum_nc=(0.d0,0.d0)
129 call compute_drhous_nc (drhous, dbecsum_nc, wgg, becq, alpq)
196 call mp_sum ( dbecsum_nc, intra_bgrp_comm )
201 IF (noncolin.and.okvan) CALL set_dbecsum_nc(dbecsum_nc, dbecsum, 3*nat)
234 if (noncolin) deallocate(dbecsum_nc)
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| H A D | zstar_eu_us.f90 | 56 COMPLEX(DP), ALLOCATABLE :: dbecsum_nc(:, :, :, :, :) local
74 if (noncolin) allocate (dbecsum_nc( nhm, nhm, nat, nspin, 3))
84 if (noncolin) dbecsum_nc=(0.d0,0.d0)
102 dbecsum_nc(1,1,1,1,jpol), dpsi, 1.0d0)
111 call mp_sum ( dbecsum_nc, intra_bgrp_comm )
128 IF (noncolin.and.okvan) CALL set_dbecsum_nc(dbecsum_nc, dbecsum, 3)
263 if (noncolin) deallocate(dbecsum_nc)
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| H A D | solve_e.f90 | 86 dbecsum_nc(:,:,:,:,:), & ! the becsum with dpsi local
122 IF (noncolin) allocate (dbecsum_nc (nhm, nhm, nat, nspin, 3))
179 IF (noncolin) dbecsum_nc=(0.d0,0.d0)
313 dbecsum_nc(1,1,1,1,ipol), dpsi, 1.0d0)
326 call mp_sum ( dbecsum_nc, intra_bgrp_comm )
339 IF (noncolin.and.okvan) CALL set_dbecsum_nc(dbecsum_nc, dbecsum, 3)
445 if (noncolin) deallocate(dbecsum_nc)
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| H A D | solve_linter.f90 | 119 dbecsum (:,:,:,:), dbecsum_nc(:,:,:,:,:,:), aux1 (:,:), tg_dv(:,:), & local
188 IF (noncolin) allocate (dbecsum_nc (nhm,nhm, nat , nspin , npe, nsolv))
265 IF (noncolin) dbecsum_nc = (0.d0, 0.d0)
482 dbecsum_nc(1,1,1,1,ipert,isolv), dpsi, rsign)
498 call mp_sum ( dbecsum_nc, intra_bgrp_comm )
516 CALL set_dbecsum_nc(dbecsum_nc, dbecsum, npe)
519 CALL set_dbecsum_nc(dbecsum_nc(1,1,1,1,1,2), dbecsum_aux, npe)
734 IF (noncolin) deallocate (dbecsum_nc)
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