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 D | lr_alloc_init.f90 | 53 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))
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H A D | lr_read_wf.f90 | 26 & 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,:)
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H A D | lr_write_restart.f90 | 23 nbnd_total, charge_response,lr_verbosity,& 145 WRITE(158,*) nbnd_total !total number of bands 148 DO ibnd_virt=1,(nbnd_total-nbnd)
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H A D | lr_restart.f90 | 23 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)
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H A D | lr_dav_routines.f90 | 27 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 …]
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H A D | lr_charg_resp.f90 | 55 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)
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H A D | lr_variables.f90 | 93 INTEGER :: nbnd_total ! actual number of bands calculated by PWSCF (virtual+ocuppied) variable
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H A D | lr_dav_main.f90 | 22 no_hxc, nbnd_total, &
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H A D | lr_main.f90 | 30 & plot_type, no_hxc, nbnd_total, project, F,R, &
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H A D | lr_eels_main.f90 | 25 & plot_type, nbnd_total, pseudo_hermitian, &
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H A D | lr_calc_dens.f90 | 38 & evc0_virt, F,nbnd_total,&
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