From 9bf05e70f460a3661531037bb95c2ec55f8a5189 Mon Sep 17 00:00:00 2001
From: Gustav Bihlmayer <g.bihlmayer@fz-juelich.de>
Date: Wed, 8 May 2019 16:03:11 +0200
Subject: [PATCH] Limited minRmts to maximum default value already a bit
 earlier (step 5) in chkmt.f90

---
 global/chkmt.f90 | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/global/chkmt.f90 b/global/chkmt.f90
index 50713f11..ae32da0c 100644
--- a/global/chkmt.f90
+++ b/global/chkmt.f90
@@ -326,6 +326,8 @@
          ELSE IF (minRmts(atoms%nz(typeB)).LT.0.0) THEN
            minRmts(atoms%nz(typeB)) = rmtFac * (dist - minRmts(atoms%nz(typeA)))
          END IF
+         minRmts(atoms%nz(typeA)) = min(minRmts(atoms%nz(typeA)),rmtMaxDefault) ! limit already here 
+         minRmts(atoms%nz(typeB)) = min(minRmts(atoms%nz(typeB)),rmtMaxDefault) ! to a reasonable value
       END DO
 
 !     6. Correct bad choices and set missing MT radii, vacuum distances, and other parameters
-- 
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