/dports/science/quantum-espresso/q-e-qe-6.7.0/PW/src/ |
H A D | vloc_psi.f90 | 61 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 …]
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H A D | realus.f90 | 60 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 …]
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/dports/science/quantum-espresso/q-e-qe-6.7.0/TDDFPT/src/ |
H A D | lr_dvpsi_eels.f90 | 56 & 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 )
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H A D | lr_apply_liouvillian_eels.f90 | 58 & 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 )
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H A D | lr_dealloc.f90 | 20 USE realus, ONLY : tg_psic 50 IF (allocated(tg_psic)) DEALLOCATE(tg_psic)
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H A D | lr_alloc_init.f90 | 28 USE realus, ONLY : tg_psic 147 IF (.NOT. ALLOCATED(tg_psic)) & 148 & ALLOCATE( tg_psic(dffts%nnr_tg) )
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H A D | lr_sternheimer.f90 | 111 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)
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H A D | lr_calc_dens.f90 | 358 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)))
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H A D | lr_read_wf.f90 | 118 USE realus, ONLY : tg_psic 252 tg_revc0(j,ibnd,1) = tg_psic(j)
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H A D | lr_apply_liouvillian.f90 | 322 USE realus, ONLY : tg_psic 424 tg_psic(ir) = tg_revc0(ir,ibnd,1)*CMPLX(tg_dvrss(ir),0.0d0,DP)
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/dports/science/quantum-espresso/q-e-qe-6.7.0/FFTXlib/ |
H A D | fft_test.f90 | 138 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 …]
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/dports/science/quantum-espresso/q-e-qe-6.7.0/PHonon/PH/ |
H A D | solve_e.f90 | 90 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)
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H A D | solve_linter.f90 | 120 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 )
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H A D | elphon.f90 | 369 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 )
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/dports/science/quantum-espresso/q-e-qe-6.7.0/HP/src/ |
H A D | hp_solve_linear_system.f90 | 91 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 )
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/dports/science/quantum-espresso/q-e-qe-6.7.0/test-suite/not_epw_comp/ |
H A D | elphon.f90 | 342 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 )
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