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Searched refs:tg_psic (Results 1 – 16 of 16) sorted by relevance

/dports/science/quantum-espresso/q-e-qe-6.7.0/PW/src/
H A Dvloc_psi.f9061 ALLOCATE( tg_psic( v_siz ) )
78 tg_psic = (0.d0, 0.d0)
129 tg_psic (j) = tg_psic (j) * tg_v(j)
200 DEALLOCATE( tg_psic )
269 ALLOCATE( tg_psic( v_siz ) )
305 tg_psic (j) = tg_psic (j) * tg_v(j)
371 DEALLOCATE( tg_psic )
503 tg_psic(j,1)=sup
504 tg_psic(j,2)=sdwn
508 tg_psic(j,:) = tg_psic(j,:) * tg_v(j,1)
[all …]
H A Drealus.f9060 COMPLEX(DP), ALLOCATABLE :: tg_psic(:) variable
100 tg_psic, betasave, maxbox_beta, box_beta
158 IF (allocated( tg_psic ) ) DEALLOCATE( tg_psic )
160 ALLOCATE( tg_psic( dffts%nnr_tg ) )
2202 tg_psic = (0.d0, 0.d0)
2234 tg_psic_temp=tg_psic
2462 tg_psic = ( 0.D0, 0.D0 )
2484 tg_psic_temp=tg_psic
2561 CALL fwfft ('tgWave', tg_psic, dffts)
2652 tg_psic (j) = tg_psic (j) + tg_psic_temp (j) * tg_v(j)
[all …]
/dports/science/quantum-espresso/q-e-qe-6.7.0/TDDFPT/src/
H A Dlr_dvpsi_eels.f9056 & tg_psic(:,:) ! wavefunctions in R-space (for task groups) local
73 ALLOCATE( tg_psic(v_siz,npol) )
98 CALL cft_wave_tg(ik, evc, tg_psic, 1, v_siz, ibnd, nbnd_occ(ikk) )
101 CALL cft_wave_tg(ik, dvpsi1, tg_psic, -1, v_siz, ibnd, nbnd_occ(ikk))
153 DEALLOCATE( tg_psic )
H A Dlr_apply_liouvillian_eels.f9058 & tg_psic(:,:), tg_dvrssc(:,:) local
84 ALLOCATE( tg_psic(v_siz,npol) )
205 CALL cft_wave_tg(ik, evc, tg_psic, 1, v_siz, ibnd, nbnd_occ(ikk) )
209 CALL apply_dpot(v_siz, tg_psic, tg_dvrssc, 1)
213 CALL cft_wave_tg(ik,dvpsi, tg_psic,-1, v_siz, ibnd, nbnd_occ(ikk))
309 DEALLOCATE( tg_psic )
H A Dlr_dealloc.f9020 USE realus, ONLY : tg_psic
50 IF (allocated(tg_psic)) DEALLOCATE(tg_psic)
H A Dlr_alloc_init.f9028 USE realus, ONLY : tg_psic
147 IF (.NOT. ALLOCATED(tg_psic)) &
148 & ALLOCATE( tg_psic(dffts%nnr_tg) )
H A Dlr_sternheimer.f90111 tg_psic(:,:), aux2(:,:), dvpsi1(:,:) local
195 ALLOCATE( tg_psic( v_siz, npol ) )
367 CALL cft_wave_tg (ik, evc, tg_psic, 1, v_siz, ibnd, &
369 CALL apply_dpot(v_siz, tg_psic, tg_dv, 1)
370 CALL cft_wave_tg (ik, aux2, tg_psic, -1, v_siz, ibnd, &
723 DEALLOCATE( tg_psic)
H A Dlr_calc_dens.f90358 USE realus, ONLY : tg_psic
423 + 2.0d0*(w1*real(tg_revc0(ir,ibnd,1),dp)*real(tg_psic(ir),dp)&
424 + w2*aimag(tg_revc0(ir,ibnd,1))*aimag(tg_psic(ir)))
H A Dlr_read_wf.f90118 USE realus, ONLY : tg_psic
252 tg_revc0(j,ibnd,1) = tg_psic(j)
H A Dlr_apply_liouvillian.f90322 USE realus, ONLY : tg_psic
424 tg_psic(ir) = tg_revc0(ir,ibnd,1)*CMPLX(tg_dvrss(ir),0.0d0,DP)
/dports/science/quantum-espresso/q-e-qe-6.7.0/FFTXlib/
H A Dfft_test.f90138 COMPLEX(DP), ALLOCATABLE :: tg_psic(:) variable
453 ALLOCATE (tg_psic(dffts%nnr_tg))
454 CALL invfft('tgWave', tg_psic, dffts)
455 DEALLOCATE (tg_psic)
461 ALLOCATE (tg_psic(dffts%nnr_tg))
462 CALL fwfft('tgWave', tg_psic, dffts)
463 DEALLOCATE (tg_psic)
485 ALLOCATE (tg_psic(dffts%nnr_tg))
514 tg_psic(j) = tg_psic(j)*tg_v(j)
519 CALL fwfft('tgWave', tg_psic, dffts);
[all …]
/dports/science/quantum-espresso/q-e-qe-6.7.0/PHonon/PH/
H A Dsolve_e.f9090 tg_psic(:,:), aux2(:,:) local
149 ALLOCATE( tg_psic( v_siz, npol ) )
238 call cft_wave_tg (ik, evc, tg_psic, 1, v_siz, ibnd, nbnd_occ (ikk) )
239 call apply_dpot(v_siz, tg_psic, tg_dv, 1)
240 call cft_wave_tg (ik, aux2, tg_psic, -1, v_siz, ibnd, nbnd_occ (ikk))
450 DEALLOCATE( tg_psic)
H A Dsolve_linter.f90120 tg_psic(:,:), aux2(:,:), drhoc(:), dbecsum_aux (:,:,:,:) local
202 ALLOCATE( tg_psic( v_siz, npol ) )
358 call cft_wave_tg (ik, evc, tg_psic, 1, v_siz, ibnd, nbnd_occ (ikk) )
359 call apply_dpot(v_siz, tg_psic, tg_dv, 1)
360 call cft_wave_tg (ik, aux2, tg_psic, -1, v_siz, ibnd, nbnd_occ (ikk))
743 DEALLOCATE( tg_psic )
H A Delphon.f90369 tg_psic(:,:), aux2(:,:) local
400 ALLOCATE( tg_psic( v_siz, npol ) )
492 CALL cft_wave_tg (ik, evc, tg_psic, 1, v_siz, ibnd, nbnd )
493 CALL apply_dpot(v_siz, tg_psic, tg_dv, 1)
494 CALL cft_wave_tg (ik, aux2, tg_psic, -1, v_siz, ibnd, nbnd)
572 DEALLOCATE( tg_psic )
/dports/science/quantum-espresso/q-e-qe-6.7.0/HP/src/
H A Dhp_solve_linear_system.f9091 tg_psic(:,:) ! Task groups: auxiliary array for wavefunctions local
181 ALLOCATE( tg_psic( v_siz, npol ) )
265 CALL cft_wave_tg (ik, evc, tg_psic, 1, v_siz, ibnd, nbnd_occ(ikk) )
266 CALL apply_dpot(v_siz, tg_psic, tg_dv, 1)
267 CALL cft_wave_tg (ik, aux2, tg_psic, -1, v_siz, ibnd, nbnd_occ(ikk))
549 DEALLOCATE( tg_psic )
/dports/science/quantum-espresso/q-e-qe-6.7.0/test-suite/not_epw_comp/
H A Delphon.f90342 tg_psic(:,:), aux2(:,:) local
367 ALLOCATE( tg_psic( v_siz, npol ) )
458 CALL cft_wave_tg (ik, evc, tg_psic, 1, v_siz, ibnd, nbnd )
459 CALL apply_dpot(v_siz, tg_psic, tg_dv, 1)
460 CALL cft_wave_tg (ik, aux2, tg_psic, -1, v_siz, ibnd, nbnd)
523 DEALLOCATE( tg_psic )