From 6848470850c946da9a3b1b8af0d6037fd9d5de92 Mon Sep 17 00:00:00 2001
From: Anthony Scemama <scemama@irsamc.ups-tlse.fr>
Date: Fri, 5 Apr 2024 14:25:32 +0200
Subject: [PATCH] Fix underflow in EZFIO

---
 src/mo_basis/utils.irp.f | 6 +++++-
 1 file changed, 5 insertions(+), 1 deletion(-)

diff --git a/src/mo_basis/utils.irp.f b/src/mo_basis/utils.irp.f
index 5f664c41..987c394a 100644
--- a/src/mo_basis/utils.irp.f
+++ b/src/mo_basis/utils.irp.f
@@ -228,7 +228,11 @@ subroutine mo_as_svd_vectors_of_mo_matrix_eig(matrix,lda,m,n,eig,label)
   call dgemm('N','N',ao_num,m,m,1.d0,mo_coef_new,size(mo_coef_new,1),U,size(U,1),0.d0,mo_coef,size(mo_coef,1))
 
   do i=1,m
-    eig(i) = D(i)
+    if (eig(i) > 1.d-20) then
+      eig(i) = D(i)
+    else
+      eig(i) = 0.d0
+    endif
   enddo
 
   deallocate(A,mo_coef_new,U,Vt,D)