Commit 53f96038 authored by Gregor Michalicek's avatar Gregor Michalicek

Inserted a correction iff lnonsph is generated too large by inpgen

The correction implies a notification to the user.
parent 50b86f47
......@@ -219,6 +219,18 @@
& xmlCoreStates,xmlPrintCoreStates,xmlCoreOccs,&
& nel,atoms,enpara)
DO n = 1, atoms%ntype
IF (atoms%lnonsph(n).GT.atoms%lmax(n)) THEN
WRITE(*,'(a20,i5,a25,i3,a4,i3,a1)')&
'NOTE: For atom type ', n,' lnonsph is reduced from ',&
atoms%lnonsph(n),' to ', atoms%lmax(n), '.'
WRITE(6,'(a20,i5,a25,i3,a4,i3,a1)')&
'NOTE: For atom type ', n, ' lnonsph is reduced from ',&
atoms%lnonsph(n),' to ', atoms%lmax(n), '.'
atoms%lnonsph(n) = atoms%lmax(n)
END IF
END DO
input%zelec = nel
! --> check once more
......
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