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Commit 9bf05e70 authored by Gustav Bihlmayer's avatar Gustav Bihlmayer
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Limited minRmts to maximum default value already a bit earlier (step 5) in chkmt.f90

parent 25f08f10
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global/chkmt.f90
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...@@ -326,6 +326,8 @@ ...@@ -326,6 +326,8 @@
ELSE IF (minRmts(atoms%nz(typeB)).LT.0.0) THEN ELSE IF (minRmts(atoms%nz(typeB)).LT.0.0) THEN
minRmts(atoms%nz(typeB)) = rmtFac * (dist - minRmts(atoms%nz(typeA))) minRmts(atoms%nz(typeB)) = rmtFac * (dist - minRmts(atoms%nz(typeA)))
END IF 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 END DO
! 6. Correct bad choices and set missing MT radii, vacuum distances, and other parameters ! 6. Correct bad choices and set missing MT radii, vacuum distances, and other parameters
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