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Searched refs:n_ipol (Results 1 – 24 of 24) sorted by relevance

/dports/science/quantum-espresso/q-e-qe-6.7.0/TDDFPT/tools/
H A Dtddfpt_calculate_spectrum.f90175 n_ipol = 1
179 n_ipol=1
181 n_ipol=3
194 n_ipol = 3
236 ALLOCATE(zeta_store(n_ipol,n_ipol,itermax))
324 DO ip=1,n_ipol
461 DO ip=1,n_ipol
524 DO ip=1,n_ipol
1122 DO ip=1,n_ipol
1182 DO ip=1,n_ipol
[all …]
/dports/science/quantum-espresso/q-e-qe-6.7.0/TDDFPT/src/
H A Dlr_solve_e.f90110 IF ( n_ipol==3 ) THEN
153 DO ip = 1, n_ipol
222 ALLOCATE(r(dfftp%nnr,n_ipol))
256 DO ip = 1, n_ipol
281 DO ip = 1, n_ipol
316 DO ip = 1, n_ipol
342 DO ip = 1, n_ipol
373 integer,intent(in) :: n_ipol local
395 do ip = 1, n_ipol
403 do ip = 1, n_ipol
[all …]
H A Dlr_test_restart.f9014 USE lr_variables, ONLY : n_ipol,LR_polarization,restart,bgz_suffix,eels
50 IF ( n_ipol == 1 ) THEN
61 DO i = 1, n_ipol
80 IF ( n_ipol == 1 ) THEN
91 DO i = 1, n_ipol
113 IF ( n_ipol == 1 ) THEN
132 IF ( n_ipol == 1 ) THEN
H A Dstop_lr.f9016 USE lr_variables, ONLY : n_ipol, LR_polarization, beta_store, &
47 DO ip = 1,n_ipol
52 IF (n_ipol==3) filename = trim(prefix) // trim(bgz_suffix) // trim(int_to_char(ip))
53 … IF (n_ipol==1) filename = trim(prefix) // trim(bgz_suffix) // trim(int_to_char(LR_polarization))
109 DO j = 1, n_ipol
120 DO j=1,n_ipol
H A Dlr_alloc_init.f9091 ALLOCATE(F(nbnd,(nbnd_total-nbnd),n_ipol))
92 ALLOCATE(R(nbnd,(nbnd_total-nbnd),n_ipol))
112 ALLOCATE(d0psi(npwx*npol,nbnd,nksq,n_ipol))
139 ALLOCATE(d0psi2(npwx*npol,nbnd,nksq,n_ipol))
215 ALLOCATE(alpha_store(n_ipol,itermax))
216 ALLOCATE(beta_store(n_ipol,itermax))
217 ALLOCATE(gamma_store(n_ipol,itermax))
218 ALLOCATE(zeta_store(n_ipol,n_ipol,itermax))
H A Dlr_lanczos.f9046 USE lr_variables, ONLY : n_ipol, ltammd, pseudo_hermitian, itermax, &
75 COMPLEX(kind=dp) :: zeta(n_ipol)
94 IF ( n_ipol /= 1 ) pol_index = LR_polarization
169 &evc1_old(:,:,:,1), n_ipol, d0psi2, alpha, beta, &
174 &evc1_old(:,:,:,1), n_ipol, d0psi(:,:,:,:), alpha, beta, &
181 &evc1_old(:,:,:,1), n_ipol, d0psi2, alpha, beta, &
186 &evc1_old(:,:,:,1), n_ipol, d0psi, alpha, beta, &
234 DO ip = 1, n_ipol
251 DO ip = 1, n_ipol
H A Dlr_read_d0psi.f9020 USE lr_variables, ONLY : d0psi, d0psi2, n_ipol, LR_polarization, &
48 DO ip=1,n_ipol
50 IF (n_ipol==1) THEN
69 IF (n_ipol==3 .and. .not.eels) THEN
H A Dlr_write_restart.f9021 LR_polarization, LR_iteration, n_ipol,F,project,&
55 IF ( n_ipol /= 1 ) pol_index = LR_polarization
118 DO j=1,n_ipol
129 DO j=1,n_ipol
H A Dlr_main.f9028 & evc1, evc1_old,norm0, charge_response, n_ipol, &
149 DO ip = 1, n_ipol
151 IF (n_ipol/=1) THEN
263 IF (project .AND. n_ipol == 3) THEN
H A Dlr_readin.f9075 & charge_response, no_hxc, n_ipol, project, & local
109 n_ipol = 1
232 IF (n_ipol /= 1) THEN
235 n_ipol = 1
250 n_ipol = 3
H A Dlr_dav_main.f9021 evc1,n_ipol, d0psi, &
65 n_ipol = 3 ! Davidson automaticly calculates all three polarizations
H A Dsd0psi.f9020 USE lr_variables, ONLY : n_ipol, d0psi, lr_verbosity, eels
63 DO ip=1,n_ipol
H A Dlr_charg_resp.f9055 USE lr_variables, ONLY : F, R, nbnd_total, LR_polarization, n_ipol
79 DO ic = 1, n_ipol
134 USE lr_variables, ONLY : R, nbnd_total, n_ipol, project
159 DO ip=1, n_ipol
288 LR_polarization,charge_response, n_ipol, &
461 IF ( n_ipol /= 1 ) info=LR_polarization
646 project,evc0_virt,F,nbnd_total,n_ipol, becp1_virt
667 IF (n_ipol>1) THEN
789 project,evc0_virt,R,nbnd_total,n_ipol, becp1_virt,d0psi
801 DO ipol=1,n_ipol
H A Dlr_eels_main.f9023 & evc1, evc1_old, norm0, n_ipol, &
214 DO ip = 1, n_ipol
216 IF (n_ipol/=1) THEN
H A Dlr_restart.f9025 lr_verbosity, charge_response, LR_polarization, n_ipol, &
59 IF ( n_ipol /= 1 ) pol_index = LR_polarization
H A Dlr_variables.f9026 INTEGER :: nwordd0psi, nwordrestart, n_ipol variable
H A Dbcast_lr_input.f9051 CALL mp_bcast (n_ipol, ionode_id, world_comm )
H A Dlr_sternheimer.f9072 lrdrho, iudrho, n_ipol, lr_verbosity, &
320 DO ipol = 1, n_ipol
H A Dlr_calc_dens.f9039 & n_ipol, becp1_virt, rho_1c,&
/dports/science/quantum-espresso/q-e-qe-6.7.0/LR_Modules/
H A Dlanczos_pseudohermitian.f9023 INTEGER, INTENT(IN) :: n_ipol local
27 COMPLEX(kind=dp), INTENT(IN) :: u(npwx_npol,nbnd_occ,nksq,n_ipol)
41 COMPLEX(kind=dp), INTENT(OUT) :: zeta(n_ipol)
84 DO ip = 1, n_ipol
95 DO ip = 1, n_ipol
H A Dlanczos_nonhermitian.f9022 INTEGER, INTENT(IN) :: n_ipol local
26 COMPLEX(kind=dp), INTENT(IN) :: u(npwx_npol,nbnd_occ,nksq,n_ipol)
40 COMPLEX(kind=dp), INTENT(OUT) :: zeta(n_ipol)
86 DO ip = 1, n_ipol
97 DO ip = 1, n_ipol
/dports/science/quantum-espresso/q-e-qe-6.7.0/TDDFPT/examples/example07/reference/
H A DCH4.tddfpt.in10 n_ipol = 3
/dports/science/quantum-espresso/q-e-qe-6.7.0/TDDFPT/examples/example07/
H A Drun_example155 n_ipol = 3
/dports/science/quantum-espresso/q-e-qe-6.7.0/TDDFPT/Doc/
H A DINPUT_Lanczos.def121 var n_ipol -type INTEGER {