From 6515773839790871769c2aba98e199ecae6674f1 Mon Sep 17 00:00:00 2001 From: Pierre-Francois Loos Date: Wed, 12 Apr 2023 21:41:30 +0200 Subject: [PATCH] bug in ufGW and ufG0W0 --- int/ERI.Hu.dat | 4 ++-- src/GW/ufG0W0.f90 | 2 +- src/GW/ufGW.f90 | 2 +- 3 files changed, 4 insertions(+), 4 deletions(-) diff --git a/int/ERI.Hu.dat b/int/ERI.Hu.dat index 95ec6f7..e7b1d13 100644 --- a/int/ERI.Hu.dat +++ b/int/ERI.Hu.dat @@ -1,2 +1,2 @@ -1 1 1 1 5. -2 2 2 2 5. +1 1 1 1 1. +2 2 2 2 1. diff --git a/src/GW/ufG0W0.f90 b/src/GW/ufG0W0.f90 index 239665f..0d8a53d 100644 --- a/src/GW/ufG0W0.f90 +++ b/src/GW/ufG0W0.f90 @@ -54,7 +54,7 @@ subroutine ufG0W0(nBas,nC,nO,nV,nR,nS,ENuc,ERHF,ERI,eHF) ! Dimension of the supermatrix - n2h1p = nO*nO*nS + n2h1p = nO*nO*nV n2p1h = nV*nV*nO nH = 1 + n2h1p + n2p1h diff --git a/src/GW/ufGW.f90 b/src/GW/ufGW.f90 index d64807e..fe877e5 100644 --- a/src/GW/ufGW.f90 +++ b/src/GW/ufGW.f90 @@ -49,7 +49,7 @@ subroutine ufGW(nBas,nC,nO,nV,nR,nS,ENuc,ERHF,ERI,eHF) ! Dimension of the supermatrix - n2h1p = nO*nO*nS + n2h1p = nO*nO*nV n2p1h = nV*nV*nO nH = nBas + n2h1p + n2p1h