PTEROSOR/QuAcK
10
1
Fork 0
mirror of https://github.com/pfloos/quack synced 2024-12-22 20:34:46 +01:00
Code Releases Activity

looking for wrong sign

Browse Source
This commit is contained in:
Pierre-Francois Loos 2024-07-04 14:11:04 +02:00
parent 719de655cc
commit a972877eac
2 changed files with 5 additions and 4 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

1
src/GW/GW_ppBSE_dynamic_kernel_C.f90
View File

@ -55,6 +55,7 @@ subroutine GW_ppBSE_dynamic_kernel_C(ispin,eta,nBas,nC,nO,nV,nR,nS,nVV,lambda,eG
cd = cd + 1 cd = cd + 1
do m=1,nS do m=1,nS
dem = OmBSE - eGW(c) - Om(m) - eGW(b) dem = OmBSE - eGW(c) - Om(m) - eGW(b)
num = rho(a,c,m)*rho(b,d,m) num = rho(a,c,m)*rho(b,d,m)

2
src/GW/GW_ppBSE_dynamic_perturbation.f90
View File

@ -41,7 +41,7 @@ subroutine GW_ppBSE_dynamic_perturbation(ispin,dTDA,eta,nBas,nC,nO,nV,nR,nS,nOO,
integer :: ab,ij,kl integer :: ab,ij,kl
integer :: maxOO = 10 integer :: maxOO = 10
integer :: maxVV = 10 integer :: maxVV = 0
double precision,allocatable :: Om1_dyn(:) double precision,allocatable :: Om1_dyn(:)
double precision,allocatable :: Om2_dyn(:) double precision,allocatable :: Om2_dyn(:)