diff --git a/src/QuAcK/ACFDT.f90 b/src/QuAcK/ACFDT.f90 index 5c6854c..0b02b94 100644 --- a/src/QuAcK/ACFDT.f90 +++ b/src/QuAcK/ACFDT.f90 @@ -77,7 +77,7 @@ subroutine ACFDT(exchange_kernel,doXBS,dRPA,TDA,BSE,singlet_manifold,triplet_man if(doXBS) then - call linear_response(ispin,dRPA,TDA,.false.,eta,nBas,nC,nO,nV,nR,nS,lambda,eW,ERI, & + call linear_response(ispin,dRPA,.false.,.false.,eta,nBas,nC,nO,nV,nR,nS,lambda,eW,ERI, & rho(:,:,:,ispin),EcAC(ispin),Omega(:,ispin),XpY(:,:,ispin),XmY(:,:,ispin)) call excitation_density(nBas,nC,nO,nR,nS,ERI,XpY(:,:,ispin),rho(:,:,:,ispin)) @@ -123,7 +123,7 @@ subroutine ACFDT(exchange_kernel,doXBS,dRPA,TDA,BSE,singlet_manifold,triplet_man if(doXBS) then - call linear_response(ispin,dRPA,TDA,.false.,eta,nBas,nC,nO,nV,nR,nS,lambda,eW,ERI, & + call linear_response(ispin,dRPA,.false.,.false.,eta,nBas,nC,nO,nV,nR,nS,lambda,eW,ERI, & rho(:,:,:,ispin),EcAC(ispin),Omega(:,ispin),XpY(:,:,ispin),XmY(:,:,ispin)) call excitation_density(nBas,nC,nO,nR,nS,ERI,XpY(:,:,ispin),rho(:,:,:,ispin)) diff --git a/src/QuAcK/Bethe_Salpeter.f90 b/src/QuAcK/Bethe_Salpeter.f90 index 2237c46..bce790d 100644 --- a/src/QuAcK/Bethe_Salpeter.f90 +++ b/src/QuAcK/Bethe_Salpeter.f90 @@ -54,7 +54,7 @@ subroutine Bethe_Salpeter(TDA,singlet_manifold,triplet_manifold,eta, & ! Compute RPA screening - call linear_response(ispin,.true.,TDA,.false.,eta,nBas,nC,nO,nV,nR,nS,1d0,eW,ERI, & + call linear_response(ispin,.true.,.false.,.false.,eta,nBas,nC,nO,nV,nR,nS,1d0,eW,ERI, & rho_RPA(:,:,:,ispin),EcRPA(ispin),OmRPA(:,ispin),XpY_RPA(:,:,ispin),XmY_RPA(:,:,ispin)) call excitation_density(nBas,nC,nO,nR,nS,ERI,XpY_RPA(:,:,ispin),rho_RPA(:,:,:,ispin)) @@ -101,7 +101,7 @@ subroutine Bethe_Salpeter(TDA,singlet_manifold,triplet_manifold,eta, & ! Compute RPA screening - call linear_response(ispin,.true.,TDA,.false.,eta,nBas,nC,nO,nV,nR,nS,1d0,eW,ERI, & + call linear_response(ispin,.true.,.false.,.false.,eta,nBas,nC,nO,nV,nR,nS,1d0,eW,ERI, & rho_RPA(:,:,:,ispin),EcRPA(ispin),OmRPA(:,ispin),XpY_RPA(:,:,ispin),XmY_RPA(:,:,ispin)) call excitation_density(nBas,nC,nO,nR,nS,ERI,XpY_RPA(:,:,ispin),rho_RPA(:,:,:,ispin))