Prepared routine to put the correction into vTot.

vgen/sfTests.f90

@@ -40,7 +40,7 @@ CONTAINS
       CALL savxsf(stars, atoms, sphhar, vacuum, input, oneD, sym, cell, noco, &
                   .FALSE., .FALSE., 'divCorrected        ', div2)
 
-      INQUIRE(file="div.xsf",exist=xsf)
+      INQUIRE(file="bInitial_f.xsf",exist=xsf)
     
       IF (xsf) THEN
          OPEN  (120, FILE='bInitial_f.xsf', STATUS='OLD')

vgen/vmts.F90

@@ -48,7 +48,7 @@ contains
     type(t_sym),    intent(in)        :: sym
     type(t_cell),   intent(in)        :: cell
     type(t_oneD),   intent(in)        :: oneD
-    LOGICAL,            INTENT(IN)               :: dosf
+    LOGICAL,        INTENT(IN)        :: dosf
     complex,        intent(in)        :: vpw(:)!(stars%ng3,input%jspins)
     real,           intent(in)        :: rho(:,0:,:)!(atoms%jmtd,0:sphhar%nlhd,atoms%ntype)
     integer,        intent(in)        :: potdenType
@@ -60,8 +60,8 @@ contains
     complex                           :: pylm(( atoms%lmaxd + 1 ) ** 2, atoms%ntype)
     real                              :: green_factor, termsR
     real                              :: green_1    (1:atoms%jmtd), green_2    (1:atoms%jmtd)
-    real                              :: integrand_1(1:atoms%jmtd), integrand_2(1:atoms%jmtd), integrand_3 (1:atoms%jmtd)
-    real                              :: integral_1 (1:atoms%jmtd), integral_2 (1:atoms%jmtd), integral_3 (1:atoms%jmtd)
+    real                              :: integrand_1(1:atoms%jmtd), integrand_2(1:atoms%jmtd)
+    real                              :: integral_1 (1:atoms%jmtd), integral_2 (1:atoms%jmtd)
     real                              :: sbf(0:atoms%lmaxd)
     real, allocatable, dimension(:,:) :: il, kl
     

vgen/xcBfield.f90

@@ -187,4 +187,32 @@ CONTAINS
 
    END SUBROUTINE sourcefree
 
+   SUBROUTINE correctPot(vTot,c)
+      USE m_types
+
+      TYPE(t_potden),               INTENT(INOUT) :: vTot !      
+      TYPE(t_potden), DIMENSION(3), INTENT(IN)    :: c !global frame
+
+      vTot%mt(:,0:,:,1)=vTot%mt(:,0:,:,1)+c(3)%mt(:,0:,:,1)
+      vTot%mt(:,0:,:,2)=vTot%mt(:,0:,:,2)-c(3)%mt(:,0:,:,1)
+      vTot%mt(:,0:,:,3)=vTot%mt(:,0:,:,3)+c(1)%mt(:,0:,:,1)
+      vTot%mt(:,0:,:,4)=vTot%mt(:,0:,:,4)+c(2)%mt(:,0:,:,1)
+
+      vTot%pw(1:,1)=vTot%pw(1:,1)+c(3)%pw(1:,1)
+      vTot%pw(1:,2)=vTot%pw(1:,2)-c(3)%pw(1:,1)
+      vTot%pw(1:,3)=vTot%pw(1:,3)+c(1)%pw(1:,1)
+      vTot%pw(1:,4)=vTot%pw(1:,4)+c(2)%pw(1:,1)
+
+      vTot%vacz(1:,1:,1)=vTot%vacz(1:,1:,1)+c(3)%vacz(1:,1:,1)
+      vTot%vacz(1:,1:,2)=vTot%vacz(1:,1:,2)-c(3)%vacz(1:,1:,1)
+      vTot%vacz(1:,1:,3)=vTot%vacz(1:,1:,3)+c(1)%vacz(1:,1:,1)
+      vTot%vacz(1:,1:,4)=vTot%vacz(1:,1:,4)+c(2)%vacz(1:,1:,1)
+
+      vTot%vacxy(1:,1:,1:,1)=vTot%vacxy(1:,1:,1:,1)+c(3)%vacxy(1:,1:,1:,1)
+      vTot%vacxy(1:,1:,1:,2)=vTot%vacxy(1:,1:,1:,2)-c(3)%vacxy(1:,1:,1:,1)
+      vTot%vacxy(1:,1:,1:,3)=vTot%vacxy(1:,1:,1:,3)+c(1)%vacxy(1:,1:,1:,1)
+      vTot%vacxy(1:,1:,1:,4)=vTot%vacxy(1:,1:,1:,4)+c(2)%vacxy(1:,1:,1:,1)
+
+   END SUBROUTINE
+
 END MODULE m_xcBfield