Small bugfixes in hybrid part

hybrid/add_Vnonlocal.F90

@@ -90,13 +90,12 @@ MODULE m_add_vnonlocal
           DO nn=1,n           
              IF (hamovlp%l_real) THEN
                 hamovlp%a_r(ic) = hamovlp%a_r(ic) - a_ex*v_x%data_r(n,nn)
-                WRITE(732,*) n,nn,v_x%data_r(n,nn)
              ELSE
                 hamovlp%a_c(ic) = hamovlp%a_c(ic) - a_ex*v_x%data_c(n,nn)
              ENDIF
+             ic=ic+1
           ENDDO
        END DO
-       STOP "DEBUG"
        ! calculate HF energy
        IF( hybrid%l_calhf ) THEN
           WRITE(6,'(A)') new_line('n')//new_line('n')//' ###     '// '        diagonal HF exchange elements (eV)              ###'
@@ -119,7 +118,7 @@ MODULE m_add_vnonlocal
        ! in the case of a spin-unpolarized calculation the factor 2 is added in eigen.F90 
        if (.not.v_x%l_real) v_x%data_c=conjg(v_x%data_c) 
        exch = 0
-       print *,"sizes:",shape(z%data_r),shape(v_x%data_r)
+       z%matsize1=MIN(z%matsize1,v_x%matsize2)
        call v_x%multiply(z,tmp)
        DO iband = 1,hybrid%nbands(nk)
           if (z%l_real) THEN

hybrid/hsfock.F90

@@ -261,7 +261,18 @@ MODULE m_hsfock
         call olap%multiply(z,trafo)
         
         call invtrafo%alloc(olap%l_real,hybrid%nbands(nk),ic)
-        CALL trafo%transpose(invtrafo)
+        CALL trafo%TRANSPOSE(invtrafo)
+       
+        DO i=1,hybrid%nbands(nk)
+           DO j=1,i-1
+              IF (ex%l_real) THEN
+                 ex%data_r(i,j)=ex%data_r(j,i)
+              ELSE
+                 ex%data_c(i,j)=conjg(ex%data_c(j,i))
+              END IF
+           ENDDO
+        ENDDO
+
         
         CALL ex%multiply(invtrafo,tmp)
         CALL trafo%multiply(tmp,v_x)

hybrid/symmetrizeh.F90

@@ -197,7 +197,7 @@
 
                 END DO
 
-                cdum = cdum/ic
+                cdum = cdum!/ic
                 DO isym = 1,nsymop
                    iop   = psym(isym)
                    igpt  = pointer_apw(i,isym)
@@ -466,9 +466,9 @@
                                   END IF
                                END DO
                                IF (hmat%l_real) THEN
-                                  hmat%data_r(lapw%nv(jsp)+i,j) = cdum/ic
+                                  hmat%data_r(lapw%nv(jsp)+i,j) = cdum!/ic
                                ELSE
-                                  hmat%data_c(lapw%nv(jsp)+i,j) = cdum/ic
+                                  hmat%data_c(lapw%nv(jsp)+i,j) = cdum!/ic
                                END IF
                             END DO
                          END DO