/dports/science/quantum-espresso/q-e-qe-6.7.0/LR_Modules/ |
H A D | setup_dgc.f90 | 30 dvxc_ss, dvxc_s, vsgga, segni 62 IF (.NOT.ALLOCATED(dvxc_s) ) ALLOCATE( dvxc_s(dfftp%nnr,nspin_gga,nspin_gga) ) 75 dvxc_s(:,:,:) = 0.d0 134 dvxc_s(:,1,1) = e2 * (v2x(:,1) + v2c(:,1)) 144 dvxc_s(k,1,1) = e2 * (v2x(k,1) + v2c(k,1)) 145 dvxc_s(k,1,2) = e2 * v2c(k,1) 146 dvxc_s(k,2,1) = e2 * v2c(k,1) 147 dvxc_s(k,2,2) = e2 * (v2x(k,2) + v2c(k,1))
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H A D | dgradcorr.f90 | 10 dvxc_s, xq, drho, nspin, nspin0, g, dvxc) argument 33 dvxc_ss (dfft%nnr,nspin0, nspin0), dvxc_s (dfft%nnr, nspin0, nspin0) local 123 dvxc_s (k, 1, 1) * gdrho (ipol, k, 1) 179 dvxc_s (k, is, js) * gdrho(ipol, k, js)
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H A D | dv_of_drho.f90 | 36 USE gc_lr, ONLY : grho, dvxc_rr, dvxc_sr, dvxc_ss, dvxc_s 100 dvxc_sr, dvxc_ss, dvxc_s, xq, dvscf, &
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H A D | lrcom.f90 | 121 dvxc_s(:,:,:) variable
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/dports/science/quantum-espresso/q-e-qe-6.7.0/HP/src/ |
H A D | hp_dealloc_q.f90 | 22 & dvxc_s, vsgga, segni 63 if (allocated(dvxc_s)) deallocate (dvxc_s)
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/dports/science/quantum-espresso/q-e-qe-6.7.0/PHonon/PH/ |
H A D | deallocate_phq.f90 | 35 USE gc_lr, ONLY : grho, gmag, dvxc_rr, dvxc_sr, dvxc_ss, dvxc_s, & 151 if(allocated(dvxc_s)) deallocate (dvxc_s)
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H A D | addnlcc_zstar_eu_us.f90 | 28 USE gc_lr, ONLY: grho, dvxc_rr, dvxc_sr, dvxc_ss, dvxc_s 78 dvxc_sr, dvxc_ss, dvxc_s, xq, drhoscf(1,1,ipol), &
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H A D | addnlcc.f90 | 31 USE gc_lr, ONLY: grho, dvxc_rr, dvxc_sr, dvxc_ss, dvxc_s 97 dvxc_sr, dvxc_ss, dvxc_s, xq, drhoscf(1, 1, ipert), &
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H A D | dvqpsi_us.f90 | 42 USE gc_lr, ONLY: grho, dvxc_rr, dvxc_sr, dvxc_ss, dvxc_s 182 dvxc_sr, dvxc_ss, dvxc_s, xq, drhoc, nspin, nspin_gga, g, aux)
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/dports/science/quantum-espresso/q-e-qe-6.7.0/PHonon/Gamma/ |
H A D | dgradcorr.f90 | 27 dvxc_ss (dfft%nnr,nspin, nspin), dvxc_s (dfft%nnr, nspin, nspin) local 66 dvxc_s (k, 1, 1) * gdrho (ipol, k, 1) 122 dvxc_s (k, is, js) * gdrho(ipol, k, js)
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H A D | cg_setup.f90 | 31 USE gc_lr, ONLY: grho, dvxc_rr, dvxc_sr, dvxc_ss, dvxc_s 64 ALLOCATE ( dvxc_s (dfftp%nnr,nspin,nspin))
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H A D | a_h.f90 | 24 USE gc_lr, ONLY: grho, dvxc_rr, dvxc_sr, dvxc_ss, dvxc_s 127 (dfftp, rho%of_r, grho, dvxc_rr, dvxc_sr, dvxc_ss, dvxc_s, &
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/dports/science/quantum-espresso/q-e-qe-6.7.0/EPW/src/ |
H A D | dvqpsi.f90 | 58 USE gc_lr, ONLY : grho, dvxc_rr, dvxc_sr, dvxc_ss, dvxc_s 211 CALL dgradcorr(dfftp, rho%of_r, grho, dvxc_rr, dvxc_sr, dvxc_ss, dvxc_s, xq0, drhoc, &
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