Commit f42c1ce3 authored by Daniel Wortmann's avatar Daniel Wortmann

Enabled calculation using inp.xml with z>92

parent e1e180c5
......@@ -55,9 +55,6 @@ CONTAINS
RETURN
ENDIF
IF (atoms%zatom(itype)>92.01e0) CALL juDFT_error(" z > 92",calledby ="setcor"&
& )
jz0 = atoms%zatom(itype) + 0.01e0
jz = jz0
k = 0
......@@ -238,6 +235,9 @@ CONTAINS
occ(n,2) = atoms%coreStateOccs(n,2,itype)
END IF
END DO
ELSE
IF (atoms%zatom(itype)>92.01e0) CALL juDFT_error(" z > 92",calledby ="setcor")
END IF
END SUBROUTINE setcor
......
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