| /dports/science/quantum-espresso/q-e-qe-6.7.0/PW/src/ |
| H A D | compute_qdipol_so.f90 | 26 COMPLEX(DP) :: dpqq_so(nhm,nhm,nspin,3,ntyp) local
34 dpqq_so = (0.d0,0.d0)
51 dpqq_so(kh,lh,ijs,ipol,nt)=dpqq_so(kh,lh,ijs,ipol,nt)&
66 dpqq_so(ih,jh,1,ipol,nt) = dpqq(ih,jh,ipol,nt)
67 dpqq_so(jh,ih,1,ipol,nt) = dpqq_so(ih,jh,1,ipol,nt)
68 dpqq_so(ih,jh,4,ipol,nt) = dpqq_so(ih,jh,1,ipol,nt)
69 dpqq_so(jh,ih,4,ipol,nt) = dpqq_so(ih,jh,4,ipol,nt)
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| /dports/science/quantum-espresso/q-e-qe-6.7.0/LR_Modules/ |
| H A D | qdipol_cryst.f90 | 33 fact_so(ipol)=at(1,ipol)*dpqq_so(ih,jh,is,1,nt)+ &
34 at(2,ipol)*dpqq_so(ih,jh,is,2,nt)+ &
35 at(3,ipol)*dpqq_so(ih,jh,is,3,nt)
37 dpqq_so(ih,jh,is,:,nt)=fact_so(:)
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| H A D | adddvepsi_us.f90 | 26 USE lrus, ONLY : dpqq, dpqq_so
77 dpqq_so(ih,jh,ijs,ipol,nt)
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| H A D | lrcom.f90 | 175 COMPLEX (DP), ALLOCATABLE :: dpqq_so(:,:,:,:,:) ! nhm, nhm, nspin, 3, ntyp) variable
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| /dports/science/quantum-espresso/q-e-qe-6.7.0/PHonon/PH/ |
| H A D | add_dkmds.f90 | 33 USE lrus, ONLY : becp1, dpqq, dpqq_so
176 (dpqq_so(ih,jh,1,jpol,nt)* &
178 dpqq_so(ih,jh,2,jpol,nt)* &
182 (dpqq_so(ih,jh,3,jpol,nt)* &
184 dpqq_so(ih,jh,4,jpol,nt)* &
189 (dpqq_so(ih,jh,1,jpol,nt)* &
191 dpqq_so(ih,jh,2,jpol,nt)* &
196 (dpqq_so(ih,jh,3,jpol,nt)* &
198 dpqq_so(ih,jh,4,jpol,nt)* &
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| H A D | deallocate_phq.f90 | 33 USE lrus, ONLY : int3, int3_nc, int3_paw, becp1, dpqq, dpqq_so
105 if(allocated(dpqq_so)) deallocate(dpqq_so)
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| H A D | allocate_phq.f90 | 41 USE lrus, ONLY : becp1, dpqq, dpqq_so
134 allocate(dpqq_so( nhm, nhm, nspin, 3, ntyp))
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| H A D | phq_init.f90 | 67 USE lrus, ONLY : becp1, dpqq, dpqq_so
285 IF (lspinorb) CALL compute_qdipol_so(dpqq, dpqq_so)
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| /dports/science/quantum-espresso/q-e-qe-6.7.0/PP/src/ |
| H A D | compute_ppsi.f90 | 50 ps_nc(:,:), dpqq_so(:,:,:,:,:) local
236 ALLOCATE (dpqq_so( nhm, nhm, nspin, 3, ntyp))
237 CALL compute_qdipol_so(dpqq, dpqq_so,ipol)
265 dpqq_so(ih,jh,1+(ip-1)*2,ipol,nt) &
267 dpqq_so(ih,jh,2+(ip-1)*2,ipol,nt)
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