From 465737c85a5e69d77e32366191a5c9cdcfb0afef Mon Sep 17 00:00:00 2001
From: Anthony Scemama <scemama@irsamc.ups-tlse.fr>
Date: Mon, 25 May 2020 23:34:51 +0200
Subject: [PATCH] DIIS stability

---
 src/scf_utils/roothaan_hall_scf.irp.f | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/scf_utils/roothaan_hall_scf.irp.f b/src/scf_utils/roothaan_hall_scf.irp.f
index e78630c2..9863634a 100644
--- a/src/scf_utils/roothaan_hall_scf.irp.f
+++ b/src/scf_utils/roothaan_hall_scf.irp.f
@@ -277,7 +277,7 @@ END_DOC
     return
   endif
 
- if (rcond == 0.d-10) then
+ if (rcond < 1.d-14) then
    dim_DIIS = 0
    return
  endif