Bugfix in cdn_io + increase maximal position factor in w_inpXML

io/cdn_io.F90

@@ -1246,8 +1246,8 @@ MODULE m_cdn_io
                CALL closeCDNPOT_HDF(fileID)
                startNumber = 1
                endNumber = lastDensityIndex - 1
-            END IF
 #endif
+            END IF
          END IF
       ELSE
          DO i = 1, LEN(TRIM(ADJUSTL(ddString)))

io/w_inpXML.f90

@@ -542,7 +542,7 @@ SUBROUTINE w_inpXML(&
          tempTaual(2,na) = atoms%taual(2,na)
          tempTaual(3,na) = atoms%taual(3,na)
          scpos = 1.0
-         DO i = 2,9
+         DO i = 2,40
             rest = ABS(i*tempTaual(1,na) - NINT(i*tempTaual(1,na)))
             IF ((scpos(1).EQ.1.0).AND.(rest.LT.(i*0.000001))) scpos(1) = real(i)
             rest = ABS(i*tempTaual(2,na) - NINT(i*tempTaual(2,na)))