Bugfixes for previous commit

main/vgen.F90

@@ -70,7 +70,7 @@ CONTAINS
 #endif
       ALLOCATE(vCoul%pw_w(SIZE(den%pw,1),1))
 
-      CALL workDen%init(stars,atoms,sphhar,vacuum,noco,input%jspins,noco%l_noco,0)
+      CALL workDen%init(stars,atoms,sphhar,vacuum,noco,input%jspins,0)
 
       !sum up both spins in den into workden
       CALL den%sum_both_spin(workden)
@@ -81,7 +81,7 @@ CONTAINS
       vCoul%mt(:,:,:,input%jspins)=vCoul%mt(:,:,:,1)
 
       IF (noco%l_noco) THEN
-         CALL denRot%init(stars,atoms,sphhar,vacuum,noco,input%jspins,noco%l_noco,0)
+         CALL denRot%init(stars,atoms,sphhar,vacuum,noco,input%jspins,0)
          denRot=den
          CALL rotate_int_den_to_local(DIMENSION,sym,stars,atoms,sphhar,vacuum,cell,input,noco,oneD,denRot)
          IF (noco%l_mtnocoPot) CALL rotate_mt_den_to_local(atoms,sphhar,sym,denrot)         

optional/bmt.f90

@@ -40,7 +40,7 @@ contains
     !atoms%jmtd = maxval(atoms%jri(:))
     !sphhar%nlhd = maxval(sphhar%nlh(:))
 
-    CALL den%init(stars,atoms,sphhar,vacuum,input%jspins,noco%l_noco,POTDEN_TYPE_DEN)
+    CALL den%init(stars,atoms,sphhar,vacuum,noco,input%jspins,POTDEN_TYPE_DEN)
     IF(noco%l_noco) THEN
        archiveType = CDN_ARCHIVE_TYPE_NOCO_const
     ELSE

optional/cdnsp.f90

@@ -54,7 +54,7 @@
 
           IF (input%jspins/=2) CALL juDFT_error("cdnsp: set jspins = 2 and remove fl7para!", calledby ="cdnsp")
 
-          CALL den%init(stars,atoms,sphhar,vacuum,input%jspins,noco%l_noco,POTDEN_TYPE_DEN)
+          CALL den%init(stars,atoms,sphhar,vacuum,noco,input%jspins,POTDEN_TYPE_DEN)
 
           input%jspins=1
           CALL readCoreDensity(input,atoms,dimension,rhoc,tec,qintc)

optional/flipcdn.f90

@@ -49,7 +49,7 @@ SUBROUTINE flipcdn(atoms,input,vacuum,sphhar,stars,sym,noco,oneD,cell)
    ! Local Arrays
    CHARACTER(len=80), ALLOCATABLE :: clines(:)
 
-   CALL den%init(stars,atoms,sphhar,vacuum,input%jspins,noco%l_noco,POTDEN_TYPE_DEN)
+   CALL den%init(stars,atoms,sphhar,vacuum,noco,input%jspins,POTDEN_TYPE_DEN)
    IF(noco%l_noco) THEN
       archiveType = CDN_ARCHIVE_TYPE_NOCO_const
    ELSE

optional/pldngen.f90

@@ -122,7 +122,7 @@ SUBROUTINE pldngen(sym,stars,atoms,sphhar,vacuum,&
    !---> reload the density matrix from file rhomat_inp
    archiveType = CDN_ARCHIVE_TYPE_CDN1_const
    IF (noco%l_noco) archiveType = CDN_ARCHIVE_TYPE_NOCO_const
-   CALL den%init(stars,atoms,sphhar,vacuum,input%jspins,noco%l_noco,POTDEN_TYPE_DEN)
+   CALL den%init(stars,atoms,sphhar,vacuum,noco,input%jspins,POTDEN_TYPE_DEN)
    IF (.NOT.sliceplot%slice) THEN
       CALL readDensity(stars,vacuum,atoms,cell,sphhar,input,sym,oneD,archiveType,CDN_INPUT_DEN_const,&
                        0,fermiEnergyTemp,l_qfix,den)
@@ -141,7 +141,7 @@ SUBROUTINE pldngen(sym,stars,atoms,sphhar,vacuum,&
    END IF
 
    IF (.NOT. sliceplot%slice) THEN
-      CALL den%init(stars,atoms,sphhar,vacuum,input%jspins,noco%l_noco,POTDEN_TYPE_DEN)
+      CALL den%init(stars,atoms,sphhar,vacuum,noco,input%jspins,POTDEN_TYPE_DEN)
       den%iter = iter
       den%mt(:,0:,1:,:input%jspins) = rho(:,0:,1:,:input%jspins)
       den%pw(1:,:input%jspins) = qpw(1:,:input%jspins)
@@ -317,7 +317,7 @@ SUBROUTINE pldngen(sym,stars,atoms,sphhar,vacuum,&
    inp=input
    inp%jspins=1
 
-   CALL den%init(stars,atoms,sphhar,vacuum,inp%jspins,noco%l_noco,POTDEN_TYPE_DEN)
+   CALL den%init(stars,atoms,sphhar,vacuum,noco,inp%jspins,POTDEN_TYPE_DEN)
    den%iter = iter
    den%mt(:,0:,1:,1:1) = rho(:,0:,1:,1:1)
    den%pw(1:,1:1) = qpw(1:,1:1)

optional/plotdop.f90

@@ -134,7 +134,7 @@ SUBROUTINE plotdop(oneD,dimension,stars,vacuum,sphhar,atoms,&
 
    ! Read in charge/potential
    DO i = 1, numInFiles
-      CALL den(i)%init(stars,atoms,sphhar,vacuum,input%jspins,noco%l_noco,POTDEN_TYPE_DEN)
+      CALL den(i)%init(stars,atoms,sphhar,vacuum,noco,input%jspins,POTDEN_TYPE_DEN)
       IF(TRIM(ADJUSTL(cdnFilenames(i))).EQ.'cdn1') THEN
          CALL readDensity(stars,vacuum,atoms,cell,sphhar,input,sym,oneD,CDN_ARCHIVE_TYPE_CDN1_const,&
                           CDN_INPUT_DEN_const,0,fermiEnergyTemp,l_qfix,den(i))

optional/stden.f90

@@ -68,7 +68,7 @@ SUBROUTINE stden(mpi,sphhar,stars,atoms,sym,DIMENSION,vacuum,&
 
    IF (input%jspins > input%jspins) CALL juDFT_error("input%jspins > input%jspins", calledby = "stden")
 
-   CALL den%init(stars,atoms,sphhar,vacuum,input%jspins,noco%l_noco,POTDEN_TYPE_DEN)
+   CALL den%init(stars,atoms,sphhar,vacuum,noco,input%jspins,POTDEN_TYPE_DEN)
 
    ALLOCATE ( rat(DIMENSION%msh,atoms%ntype),eig(DIMENSION%nstd,input%jspins,atoms%ntype) )
    ALLOCATE ( rh(DIMENSION%msh,atoms%ntype,input%jspins),rh1(DIMENSION%msh,atoms%ntype,input%jspins) )

vgen/vgen_xcpot.F90

@@ -65,10 +65,10 @@ CONTAINS
 #endif
 
 
-    CALL exc%init_potden_types(stars,atoms,sphhar,vacuum,1,.false.,1) !one spin only
+    CALL exc%init(stars,atoms,sphhar,vacuum,noco,1,1) !one spin only
     ALLOCATE(exc%pw_w(stars%ng3,1));exc%pw_w=0.0
     IF (PRESENT(results)) THEN
-       CALL veff%init(stars,atoms,sphhar,vacuum,input%jspins,.FALSE.,1)
+       CALL veff%init(stars,atoms,sphhar,vacuum,noco,input%jspins,1)
 #ifndef CPP_OLDINTEL
        ALLOCATE(veff%pw_w,mold=veff%pw)
 #else