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Searched refs:nbnd_total (Results 1 – 11 of 11) sorted by relevance

/dports/science/quantum-espresso/q-e-qe-6.7.0/TDDFPT/src/
H A Dlr_alloc_init.f9053 nbnd_total = nbnd
60 nbnd_total = nbnd
90 WRITE(stdout,'(5x,"Allocating ",I5," extra bands for projection")') nbnd_total-nbnd
91 ALLOCATE(F(nbnd,(nbnd_total-nbnd),n_ipol))
92 ALLOCATE(R(nbnd,(nbnd_total-nbnd),n_ipol))
245 ALLOCATE(becp1_virt(nkb,nbnd_total-nbnd))
268 ALLOCATE(becp1_c_virt(nkb,nbnd_total-nbnd,nks))
H A Dlr_read_wf.f9026 & sevc0_virt, nbnd_total, becp1_virt, &
65 IF ((nbnd_total>nbnd .and. davidson) .OR. project) THEN
316 nbnd = nbnd_total
524 evc0_virt(:,:,:) = evc_all(:,nbnd+1:nbnd_total,:)
525 sevc0_virt(:,:,:) = sevc_all(:,nbnd+1:nbnd_total,:)
530 becp1_virt(:,:) = becp1_all(:,nbnd+1:nbnd_total)
533 becp1_c_virt(:,:,:) = becp1_c_all(:,nbnd+1:nbnd_total,:)
H A Dlr_write_restart.f9023 nbnd_total, charge_response,lr_verbosity,&
145 WRITE(158,*) nbnd_total !total number of bands
148 DO ibnd_virt=1,(nbnd_total-nbnd)
H A Dlr_restart.f9023 restart, nwordrestart, iunrestart,project,nbnd_total,F, &
167 …IF (temp /= nbnd_total) CALL errore ('lr_restart', 'Total number of bands mismatch reading project…
170 DO ibnd_virt=1,(nbnd_total-nbnd)
H A Dlr_dav_routines.f9027 use lr_variables, only : nbnd_total
35 allocate(vc_couple(2,nbnd*(nbnd_total-nbnd))) ! 1. v 2. c
82 use lr_variables, only : nbnd_total
126 allocate(Fx(nbnd,nbnd_total-nbnd))
127 allocate(Fy(nbnd,nbnd_total-nbnd))
157 if ( p_nbnd_virt > nbnd_total-nbnd ) p_nbnd_virt = nbnd_total-nbnd
1040 use lr_variables, only : evc0, sevc0,R, nbnd_total,evc0_virt
1320 use lr_variables, only : nbnd_total,R
1449 use lr_variables, only : nbnd_total,evc0,sevc0_virt,R
1786 use lr_variables, only : nbnd_total,R
[all …]
H A Dlr_charg_resp.f9055 USE lr_variables, ONLY : F, R, nbnd_total, LR_polarization, n_ipol
74 DO ibnd_virt = 1, (nbnd_total-nbnd)
105 DO ibnd_virt=1,(nbnd_total-nbnd)
134 USE lr_variables, ONLY : R, nbnd_total, n_ipol, project
143 IF(nbnd_total > nbnd_occ(1)) THEN
167 DO ibnd_virt = 1, (nbnd_total-nbnd)
646 project,evc0_virt,F,nbnd_total,n_ipol, becp1_virt
687 DO ibnd_virt=1,(nbnd_total-nbnd)
789 project,evc0_virt,R,nbnd_total,n_ipol, becp1_virt,d0psi
803 DO ibnd_virt=1,(nbnd_total-nbnd)
H A Dlr_variables.f9093 INTEGER :: nbnd_total ! actual number of bands calculated by PWSCF (virtual+ocuppied) variable
H A Dlr_dav_main.f9022 no_hxc, nbnd_total, &
H A Dlr_main.f9030 & plot_type, no_hxc, nbnd_total, project, F,R, &
H A Dlr_eels_main.f9025 & plot_type, nbnd_total, pseudo_hermitian, &
H A Dlr_calc_dens.f9038 & evc0_virt, F,nbnd_total,&