Commit eddb1b8a authored by Gregor Michalicek's avatar Gregor Michalicek

Remove writing of unnecessary corelevels files (2nd try)

parent f16d0a9e
......@@ -404,9 +404,11 @@
d1 = mod(nint(atoms%zatom(n)),10)
d10 = int( (nint(atoms%zatom(n)) + 0.5)/10 )
aoff = iachar('1')-1
fname = 'corelevels.'//achar(d10+aoff)//achar(d1+aoff)
OPEN (27,file=fname,form='formatted')
write(27,'(i3)') natomst
IF(.NOT.input%l_inpXML) THEN
fname = 'corelevels.'//achar(d10+aoff)//achar(d1+aoff)
OPEN (27,file=fname,form='formatted')
write(27,'(i3)') natomst
END IF
WRITE (6,*) '----------'
electronsOnAtom = 0
......@@ -417,7 +419,9 @@
IF (coreocc(i,n) > 2*j) THEN
j = - coreocc(i,n)
ENDIF
write(27,'(4i3)') coreqn(1,i,n),coreqn(2,i,n),j,j
IF(.NOT.input%l_inpXML) THEN
write(27,'(4i3)') coreqn(1,i,n),coreqn(2,i,n),j,j
END IF
xmlCoreStateNumber = 0
SELECT CASE(coreqn(1,i,n))
CASE (1)
......@@ -510,8 +514,10 @@ c in s and p states equal occupation of up and down states
upReal = coreocc(i,n) / 2.0
dnReal = coreocc(i,n) / 2.0
END IF
WRITE(27,'(4i3,i4,a1)') coreqn(1,i,n),coreqn(2,i,n),up,dn,
& coreqn(1,i,n),lotype(lval(i,n))
IF(.NOT.input%l_inpXML) THEN
WRITE(27,'(4i3,i4,a1)') coreqn(1,i,n),coreqn(2,i,n),
& up,dn,coreqn(1,i,n),lotype(lval(i,n))
END IF
xmlCoreStateNumber = 0
SELECT CASE(coreqn(1,i,n))
CASE (1)
......@@ -577,7 +583,7 @@ c in s and p states equal occupation of up and down states
WRITE(6,5392) n, atoms%zatom(n), electronsOnAtom
END IF
CLOSE(27)
IF(.NOT.input%l_inpXML) CLOSE(27)
DO i = natomst,1,-1 ! determine valence states
IF (enpara%el0(lval(i,n),n,1) < -9999.8) THEN ! not processed already
......
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