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Pierre-Francois Loos 2024-09-26 20:06:23 +02:00
parent 3494a6605a
commit b103364b76
1 changed files with 4 additions and 2 deletions
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src/GW/GGW_ppBSE_dynamic_perturbation.f90
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@ -39,8 +39,8 @@ subroutine GGW_ppBSE_dynamic_perturbation(dTDA,eta,nOrb,nC,nO,nV,nR,nS,nOO,nVV,e
integer :: ab,ij,kl integer :: ab,ij,kl
integer :: maxOO = 10 integer :: maxOO = 0
integer :: maxVV = 0 integer :: maxVV = 10
double precision,allocatable :: Om1_dyn(:) double precision,allocatable :: Om1_dyn(:)
double precision,allocatable :: Om2_dyn(:) double precision,allocatable :: Om2_dyn(:)
@ -71,6 +71,8 @@ subroutine GGW_ppBSE_dynamic_perturbation(dTDA,eta,nOrb,nC,nO,nV,nR,nS,nOO,nVV,e
write(*,'(2X,A5,1X,A20,1X,A20,1X,A20,1X,A20)') '#','Static (eV)','Dynamic (eV)','Correction (eV)','Renorm. (eV)' write(*,'(2X,A5,1X,A20,1X,A20,1X,A20,1X,A20)') '#','Static (eV)','Dynamic (eV)','Correction (eV)','Renorm. (eV)'
write(*,*) '---------------------------------------------------------------------------------------------------' write(*,*) '---------------------------------------------------------------------------------------------------'
print*,nVV,maxVV
do ab=1,min(nVV,maxVV) do ab=1,min(nVV,maxVV)
if(dTDA) then if(dTDA) then