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OK with BSE@GT

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Pierre-Francois Loos 2022-01-09 23:13:17 +01:00
parent 695b407335
commit 978e8b6a2c
1 changed files with 8 additions and 8 deletions
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16
src/LR/linear_response_Tmatrix.f90
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@ -42,10 +42,10 @@ subroutine linear_response_Tmatrix(ispin,dRPA,TDA,eta,nBas,nC,nO,nV,nR,nS,lambda
call linear_response_A_matrix(ispin,dRPA,nBas,nC,nO,nV,nR,nS,lambda,e,ERI,A) call linear_response_A_matrix(ispin,dRPA,nBas,nC,nO,nV,nR,nS,lambda,e,ERI,A)
print*,'A' ! print*,'A'
call matout(nS,nS,A) ! call matout(nS,nS,A)
print*,'TA' ! print*,'TA'
call matout(nS,nS,A_BSE) ! call matout(nS,nS,A_BSE)
A(:,:) = A(:,:) + A_BSE(:,:) A(:,:) = A(:,:) + A_BSE(:,:)
@ -63,10 +63,10 @@ subroutine linear_response_Tmatrix(ispin,dRPA,TDA,eta,nBas,nC,nO,nV,nR,nS,lambda
call linear_response_B_matrix(ispin,dRPA,nBas,nC,nO,nV,nR,nS,lambda,ERI,B) call linear_response_B_matrix(ispin,dRPA,nBas,nC,nO,nV,nR,nS,lambda,ERI,B)
print*,'B' ! print*,'B'
call matout(nS,nS,B) ! call matout(nS,nS,B)
print*,'TB' ! print*,'TB'
call matout(nS,nS,B_BSE) ! call matout(nS,nS,B_BSE)
B(:,:) = B(:,:) + B_BSE(:,:) B(:,:) = B(:,:) + B_BSE(:,:)