| /dports/science/quantum-espresso/q-e-qe-6.7.0/TDDFPT/src/ |
| H A D | lr_read_wf.f90 | 25 USE lr_variables, ONLY : evc0, sevc0 ,revc0, evc0_virt, &
194 CALL fwfft_orbital_gamma(sevc0(:,:,1),ibnd,nbnd)
202 CALL s_psi(npwx, ngk(1), nbnd, evc0(:,:,1), sevc0(:,:,1))
215 CALL s_psi (npwx, ngk(ik), nbnd, evc0(:,:,ik), sevc0(:,:,ik))
223 sevc0 = evc0
502 sevc0 = (0.0d0,0.0d0)
503 sevc0(:,:,:) = sevc_all(:,1:nbnd,:)
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| H A D | lr_dvpsi_e.f90 | 40 USE lr_variables, ONLY : lr_verbosity, sevc0
93 CALL orthogonalize(d0psi, evc, ik, ik, sevc0(:,:,ik), npw, .true.)
141 CALL orthogonalize(dvpsi, evc, ik, ik, sevc0(:,:,ik), npw, .true.)
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| H A D | lr_lanczos.f90 | 48 … evc0, sevc0, d0psi, d0psi2, eels, test_case_no, lr_verbosity, &
270 CALL lr_ortho(evc1(:,:,ik,1), evc0(:,:,ik), ik, ik, sevc0(:,:,ik),.true.)
272 CALL lr_ortho(evc1(:,:,ik,2), evc0(:,:,ik), ik, ik, sevc0(:,:,ik),.true.)
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| H A D | lr_dealloc.f90 | 41 IF (allocated(sevc0)) DEALLOCATE(sevc0)
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| H A D | lr_dav_routines.f90 | 182 use lr_variables, only : evc0, sevc0 ,revc0, evc0_virt,&
432 evc0, sevc0, d0psi
522 use lr_variables, only : evc0, sevc0, d0psi
652 use lr_variables, only : evc0, sevc0
742 use lr_variables, only : evc0, sevc0
785 call lr_ortho(left_res(:,:,:,ieign), evc0(:,:,1), 1, 1,sevc0(:,:,1),.true.)
1040 use lr_variables, only : evc0, sevc0,R, nbnd_total,evc0_virt
1349 use lr_variables, only : evc0, sevc0 ,revc0, evc0_virt
1477 use lr_variables, only : evc0, sevc0
1504 call lr_ortho(vec_b(:,:,:,ib), evc0(:,:,1), 1, 1,sevc0(:,:,1),.true.)
[all …]
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| H A D | lr_alloc_init.f90 | 84 ALLOCATE(sevc0(npwx*npol,nbnd,nks))
85 sevc0(:,:,:) = (0.0d0,0.0d0)
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| H A D | lr_dav_debug.f90 | 67 use lr_variables, only : evc0, sevc0
239 use lr_variables, only : evc0,sevc0
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| H A D | lr_variables.f90 | 77 sevc0(:,:,:), & ! S * ground state wavefunctions variable
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| H A D | lr_solve_e.f90 | 201 USE lr_variables, ONLY : evc0,sevc0,d0psi,lshift_d0psi
346 & ik, ik, sevc0(:,:,ik), ngk(ik), .true.)
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| H A D | lr_apply_liouvillian.f90 | 41 USE lr_variables, ONLY : evc0, sevc0, revc0, rho_1, rho_1c, &
285 & sevc0(:,:,ik), ngk(ik), .true.)
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