| /dports/science/quantum-espresso/q-e-qe-6.7.0/TDDFPT/src/ |
| H A D | lr_calc_dens_eels.f90 | 48 COMPLEX(DP), ALLOCATABLE :: drhoscfh(:), dbecsum(:,:) local
59 ALLOCATE ( drhoscfh(dffts%nnr) )
60 drhoscfh(:) = (0.0d0, 0.0d0)
87 CALL incdrhoscf(drhoscfh(:), weight, ik, dbecsum(:,:), dpsi(:,:,ik))
95 CALL fft_interpolate(dffts, drhoscfh, dfftp, drhoscf)
128 DEALLOCATE (drhoscfh)
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| H A D | lr_calc_dens_eels_nc.f90 | 50 COMPLEX(DP), ALLOCATABLE :: drhoscfh(:,:), dbecsum(:,:,:), dbecsum_nc(:,:,:,:) local
62 ALLOCATE (drhoscfh(dffts%nnr,nspin_mag))
63 drhoscfh(:,:) = (0.0d0, 0.0d0)
92 CALL incdrhoscf_nc(drhoscfh(:,:), weight, ik, dbecsum_nc(:,:,:,:), dpsi(:,:,ik),1.0d0)
101 CALL fft_interpolate(dffts, drhoscfh(:,is), dfftp, drhoscf(:,is) )
139 DEALLOCATE (drhoscfh)
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| /dports/science/quantum-espresso/q-e-qe-6.7.0/PHonon/PH/ |
| H A D | write_rec.f90 | 24 drhoscfh, dbecsum) argument
53 COMPLEX(DP), INTENT(IN), OPTIONAL :: drhoscfh (dfftp%nnr, nspin_mag, npe) local
74 IF (PRESENT(drhoscfh).AND.convt.AND.nlcc_any) WRITE (iunrec) drhoscfh
87 SUBROUTINE read_rec(dr2, iter0, npe, dvscfin, dvscfins, drhoscfh, dbecsum) argument
115 COMPLEX(DP), INTENT(OUT), OPTIONAL :: drhoscfh (dfftp%nnr, nspin_mag, npe) local
127 IF (convt.AND.nlcc_any) READ(iunrec) drhoscfh
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| H A D | solve_linter.f90 | 115 complex(DP), allocatable :: drhoscfh (:,:,:), dvscfout (:,:,:) local
178 allocate (drhoscfh ( dfftp%nnr, nspin_mag , npe))
218 CALL read_rec(dr2, iter0, npe, dvscfin, dvscfins, drhoscfh)
510 call zcopy (npe*nspin_mag*dfftp%nnr, drhoscf, 1, drhoscfh, 1)
527 call addusddens (drhoscfh, dbecsum, imode0, npe, 0)
532 call mp_sum ( drhoscfh, inter_pool_comm )
556 call psymdvscf (npe, irr, drhoscfh)
557 IF ( noncolin.and.domag ) CALL psym_dmag( npe, irr, drhoscfh)
695 dvscfin, drhoscfh)
723 if (convt.and.nlcc_any) call addnlcc (imode0, drhoscfh, npe)
[all …]
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| H A D | zstar_eu_us.f90 | 62 complex(DP), allocatable :: drhoscfh (:,:) local
162 allocate(drhoscfh(dfftp%nnr,nspin_mag))
167 call get_buffer(drhoscfh, lrdrhous, iudrhous, mode)
171 dot_product(dvscf(1:dfftp%nnr,is,jpol),drhoscfh(1:dfftp%nnr,is)) &
178 deallocate (drhoscfh)
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| /dports/science/quantum-espresso/q-e-qe-6.7.0/HP/src/ |
| H A D | hp_solve_linear_system.f90 | 80 drhoscfh (:,:), & local
135 ALLOCATE (drhoscfh(dfftp%nnr, nspin_mag))
367 CALL fft_interpolate (dffts, drhoscf(:,is), dfftp, drhoscfh(:,is))
370 CALL zcopy (nspin_mag*dfftp%nnr, drhoscf, 1, drhoscfh, 1)
375 IF (okvan) CALL lr_addusddens (drhoscfh, dbecsum)
378 CALL mp_sum ( drhoscfh, inter_pool_comm )
395 CALL hp_ef_shift (drhoscfh, ldos, ldoss, dos_ef, dbecsum, becsum1)
397 CALL hp_ef_shift (drhoscfh, ldos, ldoss, dos_ef)
423 CALL hp_psymdvscf (drhoscfh)
434 CALL zcopy (nspin_mag*dfftp%nnr, drhoscfh, 1, dvscfout, 1)
[all …]
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