From e3f00248eee6d55f4fe53eb634326f209fa81eb0 Mon Sep 17 00:00:00 2001
From: Pierre-Francois Loos <pierrefrancois.loos@gmail.com>
Date: Wed, 24 Nov 2021 14:09:12 +0100
Subject: [PATCH] fix bug for Ncentered

---
 src/eDFT/read_options_dft.f90 | 6 +++++-
 1 file changed, 5 insertions(+), 1 deletion(-)

diff --git a/src/eDFT/read_options_dft.f90 b/src/eDFT/read_options_dft.f90
index 86488f9..a17b0ee 100644
--- a/src/eDFT/read_options_dft.f90
+++ b/src/eDFT/read_options_dft.f90
@@ -382,7 +382,11 @@ subroutine read_options_dft(nBas,method,x_rung,x_DFA,c_rung,c_DFA,SGn,nEns,wEns,
   if (doNcentered) then
 
     do iEns=2,nEns
-      wEns(iEns) = (nEl(1)/nEl(iEns))*wEns(iEns)
+      if(nEl(iEns) > 0d0) then
+        wEns(iEns) = (nEl(1)/nEl(iEns))*wEns(iEns)
+      else
+        wEns(iENs) = 0d0
+      end if
     end do
 
   end if