| /dports/science/quantum-espresso/q-e-qe-6.7.0/PW/src/ |
| H A D | force_us.f90 | 44 COMPLEX(DP), ALLOCATABLE :: deff_nc(:,:,:,:) local
58 ALLOCATE( deff_nc(nhm,nhm,nat,nspin) )
105 DEALLOCATE( deff_nc )
215 CALL compute_deff_nc( deff_nc, et(ibnd,ik) )
234 deff_nc(ih,ih,na,ijs)*fac*( &
265 deff_nc(ih,jh,na,ijs)*fac*( &
270 deff_nc(jh,ih,na,ijs)*fac*( &
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| H A D | stres_us.f90 | 310 COMPLEX(DP), ALLOCATABLE :: deff_nc(:,:,:,:) local
320 ALLOCATE( deff_nc(nhm,nhm,nat,nspin) )
339 CALL compute_deff_nc(deff_nc,et(ibnd,ik))
354 evps=evps+fac*deff_nc(ih,ih,na,ijs)* &
411 CALL compute_deff_nc(deff_nc,et(ibnd,ik))
432 deff_nc(ih,ih,na,ijs)
453 deff_nc(ih,jh,na,ijs)
517 CALL compute_deff_nc( deff_nc, et(ibnd,ik) )
537 deff_nc( ih,ih,na,ijs )
559 deff_nc(ih,jh,na,ijs)
[all …]
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| /dports/science/quantum-espresso/q-e-qe-6.7.0/PHonon/PH/ |
| H A D | drhodvnl.f90 | 52 deff_nc(:,:,:,:) local
62 allocate (deff_nc ( nhm, nhm, nat, nspin ))
81 CALL compute_deff_nc(deff_nc,et(ibnd,ikk))
99 deff_nc(ih,jh,na,ijs) * becp1(ik)%nc(jkb,js,ibnd)
114 deff_nc(ih,jh,na,ijs) * &
249 deallocate (deff_nc)
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| H A D | dvqpsi_us_only.f90 | 72 complex(DP), allocatable :: ps1 (:,:), ps2 (:,:,:), aux (:), deff_nc(:,:,:,:) local
83 allocate (deff_nc(nhm, nhm, nat, nspin))
105 CALL compute_deff_nc(deff_nc,et(ibnd,ikk))
128 deff_nc(ih,jh,na,ijs) * &
133 deff_nc(ih,jh,na,ijs) * &
252 deallocate (deff_nc)
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| H A D | dynmat_us.f90 | 68 work2 (:), deff_nc(:,:,:,:) local
80 ALLOCATE (deff_nc( nhm, nhm, nat, nspin ))
174 CALL compute_deff_nc(deff_nc,et(ibnd,ikk))
197 wgg* deff_nc(ih,jh,na,ijs) * &
258 DEALLOCATE (deff_nc)
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| H A D | compute_nldyn.f90 | 55 deff_nc(:,:,:,:) local
73 allocate (deff_nc ( nhm, nhm, nat, nspin))
105 CALL compute_deff_nc(deff_nc,et(ibnd,ikk))
124 deff_nc(ih,jh,na,ijs)* &
159 deff_nc(ih,jh,na,ijs) * &
347 deallocate (deff_nc)
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| /dports/science/quantum-espresso/q-e-qe-6.7.0/LR_Modules/ |
| H A D | commutator_Hx_psi.f90 | 55 work (:,:), psc(:,:,:,:), deff_nc(:,:,:,:) local
97 allocate (deff_nc (nhm, nhm, nat, nspin))
154 CALL compute_deff_nc(deff_nc,et(ibnd,ik))
173 becp2%nc(jkb,js,ibnd)*deff_nc(ih,jh,na,ijs)
176 becp1%nc(jkb,js,ibnd)*deff_nc(ih,jh,na,ijs)
219 deallocate (deff_nc)
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| /dports/science/quantum-espresso/q-e-qe-6.7.0/GWW/simple/ |
| H A D | commutator.f90 | 372 work (:,:), psc(:,:,:,:), deff_nc(:,:,:,:) local
393 allocate (deff_nc (nhm, nhm, nat, nspin))
473 deff_nc=deeq_nc
492 becp2%nc(jkb,js,ibnd)*deff_nc(ih,jh,na,ijs)
495 becp1%nc(jkb,js,ibnd)*deff_nc(ih,jh,na,ijs)
550 deallocate (deff_nc)
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| /dports/science/quantum-espresso/q-e-qe-6.7.0/EPW/src/ |
| H A D | dvqpsi.f90 | 390 COMPLEX(KIND = DP), ALLOCATABLE :: deff_nc(:, :, :, :) local
403 ALLOCATE(deff_nc(nhm, nhm, nat, nspin), STAT = ierr)
407 deff_nc(:, :, :, :) = czero
429 CALL compute_deff_nc(deff_nc, et(ibnd + ibndstart - 1, ik))
450 … ps1_nc(ikb, is, ibnd) = ps1_nc(ikb, is, ibnd) + deff_nc(ih, jh, na, ijs) * &
453 … deff_nc(ih, jh, na, ijs) * becp1(ik)%nc(jkb, js, ibnd + ibndstart - 1) * &
564 DEALLOCATE(deff_nc, STAT = ierr)
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