From eeadbf5c55c69803dfab4afc3166aee3864504c5 Mon Sep 17 00:00:00 2001 From: Pierre-Francois Loos Date: Thu, 4 Mar 2021 15:06:16 +0100 Subject: [PATCH] fix bug --- src/eDFT/restricted_exchange_energy.f90 | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/eDFT/restricted_exchange_energy.f90 b/src/eDFT/restricted_exchange_energy.f90 index fc43d4e..d86421b 100644 --- a/src/eDFT/restricted_exchange_energy.f90 +++ b/src/eDFT/restricted_exchange_energy.f90 @@ -64,7 +64,7 @@ subroutine restricted_exchange_energy(rung,DFA,LDA_centered,nEns,wEns,aCC_w1,aCC aX = 0.72d0 aC = 0.81d0 - call restricted_lda_exchange_energy(DFA,nEns,wEns,nGrid,weight,rho,ExLDA,Cx_choice) + call restricted_lda_exchange_energy(DFA,LDA_centered,nEns,wEns,aCC_w1,aCC_w2,nGrid,weight,rho,ExLDA,Cx_choice) call restricted_gga_exchange_energy(DFA,nEns,wEns,nGrid,weight,rho,drho,ExGGA) call restricted_fock_exchange_energy(nBas,P,FxHF,ExHF)