Searched refs:evc0_virt (Results 1 – 6 of 6) sorted by relevance
/dports/science/quantum-espresso/q-e-qe-6.7.0/TDDFPT/src/ |
H A D | lr_dealloc.f90 | 103 IF (allocated(evc0_virt)) DEALLOCATE(evc0_virt)
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H A D | lr_read_wf.f90 | 25 USE lr_variables, ONLY : evc0, sevc0 ,revc0, evc0_virt, & 321 ALLOCATE(evc0_virt(npwx,(nbnd-nbnd_occ(1)),nks)) 524 evc0_virt(:,:,:) = evc_all(:,nbnd+1:nbnd_total,:)
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H A D | lr_variables.f90 | 76 evc0_virt(:,:,:), & ! unoccupied ground state wavefunctions (plane wave, band, k point) variable
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H A D | lr_charg_resp.f90 | 646 project,evc0_virt,F,nbnd_total,n_ipol, becp1_virt 757 SSUM=(2.D0*wg(ibnd_occ,1)*ddot(2*ngk(1),evc0_virt(:,ibnd_virt,1),1,evc1(:,ibnd_occ,1),1)) 758 …IF (gstart==2) SSUM = SSUM - (wg(ibnd_occ,1)*dble(evc1(1,ibnd_occ,1))*dble(evc0_virt(1,ibnd_virt,1… 789 project,evc0_virt,R,nbnd_total,n_ipol, becp1_virt,d0psi 805 … SSUM=(2.D0*wg(ibnd_occ,1)*ddot(2*ngk(1),evc0_virt(:,ibnd_virt,1),1,d0psi(:,ibnd_occ,1,ipol),1)) 806 …rt==2) SSUM = SSUM - (wg(ibnd_occ,1)*dble(d0psi(1,ibnd_occ,1,ipol))*dble(evc0_virt(1,ibnd_virt,1)))
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H A D | lr_dav_routines.f90 | 182 use lr_variables, only : evc0, sevc0 ,revc0, evc0_virt,& 214 vec_b(:,vc_couple(1,ib),1,ib)=evc0_virt(:,vc_couple(2,ib)-nbnd,1) 1040 use lr_variables, only : evc0, sevc0,R, nbnd_total,evc0_virt 1349 use lr_variables, only : evc0, sevc0 ,revc0, evc0_virt 1387 wfck(:,1) = evc0_virt(:,c1-nbnd,1) 1403 calc_inter = wfc_dot(wfck(:,1),evc0_virt(:,c2-nbnd,1)) 1858 use lr_variables, only : evc0, sevc0,R, nbnd_total,evc0_virt,rho_1,rho_1c
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H A D | lr_calc_dens.f90 | 38 & evc0_virt, F,nbnd_total,&
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