Fixed missing allocation of specialPoints array in XML code path

io/r_inpXML.F90

@@ -464,6 +464,7 @@ SUBROUTINE r_inpXML(&
       END IF
       kpts%numSpecialPoints = numberNodes
       IF(kpts%numSpecialPoints.GE.2) THEN
+         DEALLOCATE(kpts%specialPoints)
          ALLOCATE(kpts%specialPoints(3,kpts%numSpecialPoints))
          ALLOCATE(kpts%specialPointNames(kpts%numSpecialPoints))
          DO i = 1, kpts%numSpecialPoints

main/fleur_init.F90

@@ -99,14 +99,15 @@
           ENDIF
 
           input%l_inpXML = .FALSE.
-          kpts%numSpecialPoints = 1
           kpts%ntet = 1
+          kpts%numSpecialPoints = 1
           INQUIRE (file='inp.xml',exist=input%l_inpXML)
           IF(.NOT.juDFT_was_argument("-xmlInput")) THEN
              input%l_inpXML = .FALSE.
           END IF
           IF (input%l_inpXML) THEN
              IF (mpi%irank.EQ.0) THEN
+                ALLOCATE(kpts%specialPoints(3,kpts%numSpecialPoints))
                 ALLOCATE(noel(1),atomTypeSpecies(1),speciesRepAtomType(1))
                 ALLOCATE(xmlElectronStates(1,1),xmlPrintCoreStates(1,1))
                 ALLOCATE(xmlCoreOccs(1,1,1))