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Searched refs:dvxc_ss (Results 1 – 14 of 14) sorted by relevance

/dports/science/quantum-espresso/q-e-qe-6.7.0/Modules/
H A Ddgcxc_drivers.f9031 dvxc_ss(length,sp,sp) local
131 dvxc_ss = 0.d0
155 dvxc_ss(k,1,2) = e2 * v2sigma2_x(6*k-2)
156 dvxc_ss(k,2,1) = e2 * v2sigma2_x(6*k-2)
160 dvxc_ss(k,1,2) = e2 * v2sigma2_c(6*k-2)
161 dvxc_ss(k,2,1) = e2 * v2sigma2_c(6*k-2)
214 dvxc_ss(k,1,2) = e2 * vssc(k)
215 dvxc_ss(k,2,1) = e2 * vssc(k)
275 dvxc_ss(k,1,2) = e2 * vssc(k)
276 dvxc_ss(k,2,1) = e2 * vssc(k)
[all …]
/dports/science/quantum-espresso/q-e-qe-6.7.0/LR_Modules/
H A Dsetup_dgc.f9030 dvxc_ss, dvxc_s, vsgga, segni
61 IF (.NOT.ALLOCATED(dvxc_ss)) ALLOCATE( dvxc_ss(dfftp%nnr,nspin_gga,nspin_gga) )
74 dvxc_ss(:,:,:) = 0.d0
128 CALL dgcxc( dfftp%nnr, 1, rhoout, grh, dvxc_rr, dvxc_sr, dvxc_ss )
138 CALL dgcxc( dfftp%nnr, nspin_gga, rhoout, grh, dvxc_rr, dvxc_sr, dvxc_ss )
H A Ddgradcorr.f9033 dvxc_ss (dfft%nnr,nspin0, nspin0), dvxc_s (dfft%nnr, nspin0, nspin0) local
122 dvxc_ss(k, 1, 1) * s1 )*grho(ipol, k, 1) + &
162 b (is, js, ks, ls) = dvxc_ss (k, is, is)
165 b (is, js, ks, ls) = dvxc_ss (k, 1, 2)
167 b (is, js, ks, ls) = dvxc_ss (k, 2, 1)
H A Ddv_of_drho.f9036 USE gc_lr, ONLY : grho, dvxc_rr, dvxc_sr, dvxc_ss, dvxc_s
100 dvxc_sr, dvxc_ss, dvxc_s, xq, dvscf, &
H A Dlrcom.f90120 dvxc_ss(:,:,:), &! dimensions: (nrxx, nspin, nspin) variable
/dports/science/quantum-espresso/q-e-qe-6.7.0/HP/src/
H A Dhp_dealloc_q.f9021 USE gc_lr, ONLY : grho, gmag, dvxc_rr, dvxc_sr, dvxc_ss, &
62 if (allocated(dvxc_ss)) deallocate (dvxc_ss)
/dports/science/quantum-espresso/q-e-qe-6.7.0/PHonon/Gamma/
H A Ddgradcorr.f9027 dvxc_ss (dfft%nnr,nspin, nspin), dvxc_s (dfft%nnr, nspin, nspin) local
65 dvxc_ss(k, 1, 1) * s1 )*grho(ipol, k, 1) + &
105 b (is, js, ks, ls) = dvxc_ss (k, is, is)
108 b (is, js, ks, ls) = dvxc_ss (k, 1, 2)
110 b (is, js, ks, ls) = dvxc_ss (k, 2, 1)
H A Dcg_setup.f9031 USE gc_lr, ONLY: grho, dvxc_rr, dvxc_sr, dvxc_ss, dvxc_s
63 ALLOCATE ( dvxc_ss(dfftp%nnr,nspin,nspin))
H A Da_h.f9024 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, &
/dports/science/quantum-espresso/q-e-qe-6.7.0/PHonon/PH/
H A Ddeallocate_phq.f9035 USE gc_lr, ONLY : grho, gmag, dvxc_rr, dvxc_sr, dvxc_ss, dvxc_s, &
150 if(allocated(dvxc_ss)) deallocate (dvxc_ss)
H A Daddnlcc_zstar_eu_us.f9028 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), &
H A Daddnlcc.f9031 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), &
H A Ddvqpsi_us.f9042 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)
/dports/science/quantum-espresso/q-e-qe-6.7.0/EPW/src/
H A Ddvqpsi.f9058 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, &