From 9bf05e70f460a3661531037bb95c2ec55f8a5189 Mon Sep 17 00:00:00 2001 From: Gustav Bihlmayer 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 -- GitLab