From 6027b12ce255eaffc724b83233ac9058fb3fa658 Mon Sep 17 00:00:00 2001 From: pfloos Date: Mon, 19 Feb 2024 14:08:50 +0100 Subject: [PATCH] GW+C --- src/GW/ufG0W0.f90 | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/GW/ufG0W0.f90 b/src/GW/ufG0W0.f90 index c7944f1..43208a6 100644 --- a/src/GW/ufG0W0.f90 +++ b/src/GW/ufG0W0.f90 @@ -116,7 +116,7 @@ subroutine ufG0W0(dotest,TDA_W,nBas,nC,nO,nV,nR,nS,ENuc,ERHF,ERI,eHF) ! Main loop over orbitals ! !-------------------------! - do p=nO-3,nO + do p=nO,nO H(:,:) = 0d0