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Searched refs:epsCusp (Results 1 – 4 of 4) sorted by relevance

/dports/science/siesta/siesta-4.1.5/Src/SiestaXC/
H A Datomxc.F90243 Eaux, Ecut, epsC, epsCusp, epsNL, epsX, f1, f2, & local
553 epsCusp, dEcuspdD, dEcuspdGD )
567 epsNL = epsCusp + 0.5_dp*sum(ur(ir,1:nq)*tr(ir,1:nq))/(Dtot+tiny(Dtot))
H A Dcellxc.F90391 EcuspVDW, Enl, epsC, epsCusp, epsNL, epsX, f1, f2, & local
1025 call vdw_decusp( nSpin, D, GD, epsCusp, dEcuspdD, dEcuspdGD )
1040 epsNL = epsCusp + 0.5_dp*sum(ur*tr)/(Dtot+tiny(Dtot))
1051 EcuspVDW = EcuspVDW + dVol * Dtot * epsCusp
/dports/science/libgridxc/libgridxc-libgridxc-0.9.6/src/
H A Datomxc.F90147 Eaux, Ecut, epsC, epsCusp, epsNL, epsX, f1, f2, & local
505 epsCusp, dEcuspdD, dEcuspdGD )
519 epsNL = epsCusp + 0.5_dp*sum(ur(ir,1:nq)*tr(ir,1:nq))/(Dtot+tiny(Dtot))
H A Dcellxc.F90278 EcuspVDW, Enl, epsC, epsCusp, epsNL, epsX, f1, f2, & local
971 call vdw_decusp( nSpin, D, GD, epsCusp, dEcuspdD, dEcuspdGD )
986 epsNL = epsCusp + 0.5_dp*sum(ur*tr)/(Dtot+tiny(Dtot))
997 EcuspVDW = EcuspVDW + dVol * Dtot * epsCusp