Merge branch 'develop' of https://iffgit.fz-juelich.de/fleur/fleur into develop

fleurinput/types_input.f90

@@ -27,8 +27,8 @@ MODULE m_types_input
      INTEGER :: coretail_lmax =0
      INTEGER :: itmax =9
      REAL    :: minDistance=1.0e-5
-     REAL    :: minoccDistance !Distances for the density matrix in DFT+Hubbard 1 case
-     REAL    :: minmatDistance
+     REAL    :: minoccDistance=1.0e-2 !Distances for the density matrix in DFT+Hubbard 1 case
+     REAL    :: minmatDistance=1.0e-3
      INTEGER :: maxiter=99
      INTEGER :: imix=7
      INTEGER :: gw=0
@@ -79,7 +79,7 @@ MODULE m_types_input
       INTEGER :: gf_ne
       REAL    :: gf_ellow
       REAL    :: gf_elup
-      INTEGER :: gf_mode
+      INTEGER :: gf_mode=-1
       INTEGER :: gf_n
       REAL    :: gf_alpha
       REAL    :: gf_et

types/types_greensf.f90

@@ -28,7 +28,7 @@ MODULE m_types_greensf
       TYPE t_greensf
 
          !Energy contour parameters
-         INTEGER  :: mode  !Determines the shape of the contour (more information in kkintgr.f90)
+         INTEGER  :: mode = -1  !Determines the shape of the contour (more information in kkintgr.f90)
          INTEGER  :: nz    !number of points in the contour
          INTEGER  :: nmatsub
 

vgen/mt_tofrom_grid.F90

@@ -218,13 +218,13 @@ CONTAINS
                   ENDDO
                ENDDO ! lh
             ENDDO   ! js
-
+         !Rotation to local if needed (Indicated by rotch)
             !Makegradients 
             IF(jspins>2) CALL mkgylm(2, atoms%rmsh(jr, n), thet, nsp, &
                         ch_tmp, chdr, chdt, chdf, chdrr, chdtt, chdff, chdtf, chdrt, chdrf, grad, kt)
             IF(jspins.LE.2)CALL mkgylm(jspins, atoms%rmsh(jr, n), thet, nsp, &
                         ch_tmp, chdr, chdt, chdf, chdrr, chdtt, chdff, chdtf, chdrt, chdrf, grad, kt)
-               ENDIF
+
          !Set charge to minimum value
          IF (PRESENT(ch)) THEN
             WHERE (ABS(ch_tmp(:nsp,:)) < d_15) ch_tmp(:nsp,:) = d_15