Searched refs:epsCusp (Results 1 – 4 of 4) sorted by relevance
/dports/science/siesta/siesta-4.1.5/Src/SiestaXC/ |
H A D | atomxc.F90 | 243 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))
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H A D | cellxc.F90 | 391 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
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/dports/science/libgridxc/libgridxc-libgridxc-0.9.6/src/ |
H A D | atomxc.F90 | 147 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))
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H A D | cellxc.F90 | 278 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
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