Fully Fully converges using LDA functional 'bh'.

vgen/rotate_mt_den_tofrom_local.f90

@@ -110,6 +110,10 @@ CONTAINS
 
     CALL init_mt_grid(4,atoms,sphhar,xcpot%needs_grad(),sym)
     DO n=1,atoms%ntype
+       DO i=1,atoms%jri(n)
+          vtot%mt(i,:,n,:)=vtot%mt(i,:,n,:)*atoms%rmsh(i,n)**2
+       ENDDO
+
        CALL mt_to_grid(xcpot%needs_grad(),4,atoms,sphhar,vtot%mt(:,0:,n,:),n,grad,ch)
        DO imesh = 1,nsp*atoms%jri(n)
           vup   = ch(imesh,1)
@@ -128,9 +132,6 @@ CONTAINS
 
        CALL mt_from_grid(atoms,sphhar,n,4,ch,vtot%mt(:,0:,n,:))
 
-       DO i=1,atoms%jri(n)
-          vtot%mt(i,:,n,:)=vtot%mt(i,:,n,:)*atoms%rmsh(i,n)**2
-       ENDDO
     END DO
     CALL finish_mt_grid()
   END SUBROUTINE rotate_mt_den_from_local

vgen/vgen_finalize.F90

@@ -42,7 +42,14 @@ CONTAINS
        END DO
     ELSEIF(noco%l_noco) THEN
        CALL vmatgen(stars,atoms,vacuum,sym,input,denRot,vTot)
-       IF (noco%l_mtnocoPot) CALL rotate_mt_den_from_local(atoms,sphhar,sym,denRot,vtot)
+       IF (noco%l_mtnocoPot) THEN
+          !Included for testing 
+          !denRot%phi_mt=0.0 
+          !denRot%theta_mt=0.0
+          !denRot%theta_pw=0.0
+          !denRot%phi_pw=0.0
+          CALL rotate_mt_den_from_local(atoms,sphhar,sym,denRot,vtot)
+       END IF
     ENDIF
 
   !           ---> store v(l=0) component as r*v(l=0)/sqrt(4pi)