Even more changes to integrate the Wannier code

...I now reached linker error phase.

wannier/uhu/wann_uHu_dmi.F

@@ -666,7 +666,7 @@ c*****************************************************************c
        IF (l_gwf) THEN
           do iqpt_b=1,nntot_q
             WRITE(fending,'("_",i4.4)')bpt_q(iqpt_b,iqpt)
-            eig_id=open_eig(mpi%mpi_comm,DIMENSION%nbasfcn,
+            eig_idList(iqpt_b)=open_eig(mpi%mpi_comm,DIMENSION%nbasfcn,
      +                  DIMENSION%neigd,
      +                  nkpts,wannierspin,atoms%lmaxd,
      +                  atoms%nlod,atoms%ntype,atoms%nlotot,

wannier/wann_mmkb_od_vac.F

@@ -21,7 +21,7 @@ c***************************************************************
      >     bbmat,evac,evac_b,bkpt,bkpt_b,MM,vM,vz,vz_b,odi,
      >     nslibd,nslibd_b,jspin,jspin_b,k1,k2,k3,k1_b,k2_b,k3_b,
      >     jspd,nvd,area,nbasfcn,neigd,
-     >     z,z_b,nv,nv_b,sk2,phi2,omtil,gb,qss,
+     >     zMat,zMat_b,nv,nv_b,sk2,phi2,omtil,gb,qss,
      >     l_q, sign_q,
      <     mmn)
       use m_constants
@@ -38,6 +38,7 @@ c***************************************************************
       TYPE(t_vacuum),INTENT(IN)      :: vacuum
       TYPE(t_stars),INTENT(IN)       :: stars
       TYPE(t_cell),INTENT(IN)        :: cell
+      TYPE(t_zmat), INTENT(IN)       :: zMat, zMat_b
 
 c     .. scalar Arguments..
       logical, intent (in) :: l_noco
@@ -65,13 +66,6 @@ c     ..array arguments..
       integer, intent (in) :: k1_b(:,:),k2_b(:,:),k3_b(:,:) !k1_b(nvd,jspd),k2_b(nvd,jspd),k3_b(nvd,jspd)
       complex, intent (inout) :: mmn(:,:) !mmn(nbnd,nbnd)
 
-#if ( !defined(CPP_INVERSION) || defined(CPP_SOC) )
-      complex, intent (in):: z(:,:),z_b(:,:) !z(nbasfcn,neigd),z_b(nbasfcn,neigd)
-#else
-      real,    intent (in):: z(:,:),z_b(:,:) !z(nbasfcn,neigd),z_b(nbasfcn,neigd)
-#endif
-
-
       !logical, intent (in) :: l_q   ! dealing with q points?
 
 c     ..basis wavefunctions in the vacuum
@@ -209,14 +203,25 @@ c...for the k-point
      *              cmplx(-duz(l,m)*bess(m) +
      -              uz(l,m)*sk2(irec2)*dbss(m),0.0)/
      /              ((wronk1)*sqrt(omtil))
-               do n = 1,nslibd
-                   acof(l,m,n) = acof(l,m,n) +
-     +                z(k+addnoco,n)*avac
-c     +                 conjg(z(k,n))*avac
-                   bcof(l,m,n) = bcof(l,m,n) +
-     +                z(k+addnoco,n)*bvac
-c     +                 conjg(z(k,n))*bvac
-               enddo
+               IF (zMat%l_real) THEN
+                  do n = 1,nslibd
+                      acof(l,m,n) = acof(l,m,n) +
+     +                   zMat%z_r(k+addnoco,n)*avac
+c     +                    conjg(zMat%z_r(k,n))*avac
+                      bcof(l,m,n) = bcof(l,m,n) +
+     +                   zMat%z_r(k+addnoco,n)*bvac
+c     +                    conjg(zMat%z_r(k,n))*bvac
+                  enddo
+               ELSE
+                  do n = 1,nslibd
+                      acof(l,m,n) = acof(l,m,n) +
+     +                   zMat%z_c(k+addnoco,n)*avac
+c     +                    conjg(zMat%z_c(k,n))*avac
+                      bcof(l,m,n) = bcof(l,m,n) +
+     +                   zMat%z_c(k+addnoco,n)*bvac
+c     +                    conjg(zMat%z_c(k,n))*bvac
+                  enddo
+               END IF
             enddo      ! -mb:mb
          endif
       enddo
@@ -253,14 +258,25 @@ c...for the b-point
      &              cmplx(-duz_b(l,m)*bess(m) +
      -              uz_b(l,m)*sk2(irec2)*dbss(m),0.0)/
      /              ((wronk1)*sqrt(omtil))
-               do n = 1,nslibd_b
-                   acof_b(l,m,n) = acof_b(l,m,n) +
-     +                z_b(k+addnoco2,n)*avac
-c     +                 conjg(z(k,n))*avac
-                   bcof_b(l,m,n) = bcof_b(l,m,n) +
-     +                z_b(k+addnoco2,n)*bvac
-c     +                 conjg(z(k,n))*bvac
-               enddo
+               IF (zMat_b%l_real) THEN
+                  do n = 1,nslibd_b
+                      acof_b(l,m,n) = acof_b(l,m,n) +
+     +                   zMat_b%z_r(k+addnoco2,n)*avac
+c     +                    conjg(zMat_b%z_r(k,n))*avac
+                      bcof_b(l,m,n) = bcof_b(l,m,n) +
+     +                   zMat_b%z_r(k+addnoco2,n)*bvac
+c     +                    conjg(zMat_b%z_r(k,n))*bvac
+                  enddo
+               ELSE
+                  do n = 1,nslibd_b
+                      acof_b(l,m,n) = acof_b(l,m,n) +
+     +                   zMat_b%z_c(k+addnoco2,n)*avac
+c     +                    conjg(zMat_b%z_c(k,n))*avac
+                      bcof_b(l,m,n) = bcof_b(l,m,n) +
+     +                   zMat_b%z_c(k+addnoco2,n)*bvac
+c     +                    conjg(zMat_b%z_c(k,n))*bvac
+                  enddo
+               END IF
             enddo      ! -mb:mb
          endif 
       enddo          ! k = 1,nv

wannier/wann_mmkb_vac.F

@@ -21,12 +21,16 @@ c***************************************************************
      >     bbmat,evac,evac_b,bkpt,bkpt_b,vz,vz_b,
      >     nslibd,nslibd_b,jspin,jspin_b,
      >     k1,k2,k3,k1_b,k2_b,k3_b,jspd,nvd,
-     >     nbasfcn,neigd,z,z_b,nv,nv_b,omtil,gb,
+     >     nbasfcn,neigd,zMat,zMat_b,nv,nv_b,omtil,gb,
      <     mmn)
 
+      USE m_types
       use m_constants, only : pimach
       use m_intgr, only : intgz0
       implicit none
+
+      TYPE(t_zmat), INTENT(IN) :: zMat, zMat_b
+
 c     .. scalar Arguments..
       logical, intent (in) :: l_noco
       integer, intent (in) :: nlotot,jspin_b
@@ -49,12 +53,6 @@ c     ..array arguments..
       integer,intent(in)::k1_b(nvd,jspd),k2_b(nvd,jspd),k3_b(nvd,jspd)
       complex, intent (inout) :: mmn(nbnd,nbnd)
 
-#if ( !defined(CPP_INVERSION) || defined(CPP_SOC) )
-      complex, intent (in):: z(nbasfcn,neigd),z_b(nbasfcn,neigd)
-#else
-      real,    intent (in):: z(nbasfcn,neigd),z_b(nbasfcn,neigd)
-#endif
-
 c     ..basis wavefunctions in the vacuum
       complex, allocatable :: ac(:,:),bc(:,:),ac_b(:,:),bc_b(:,:)
       real,    allocatable :: dt(:),dte(:)
@@ -232,10 +230,17 @@ c-----> construct a and b coefficients for the k-point
          av = -c_1 * cmplx( dte(l),zks*te(l) )
          bv =  c_1 * cmplx(  dt(l),zks* t(l) )
 c-----> loop over basis functions
-         do n = 1,nslibd
-            ac(l,n) = ac(l,n) + z(k+addnoco,n)*av
-            bc(l,n) = bc(l,n) + z(k+addnoco,n)*bv
-         enddo
+         IF(zMat%l_real) THEN
+            do n = 1,nslibd
+               ac(l,n) = ac(l,n) + zMat%z_r(k+addnoco,n)*av
+               bc(l,n) = bc(l,n) + zMat%z_r(k+addnoco,n)*bv
+            enddo
+         ELSE
+            do n = 1,nslibd
+               ac(l,n) = ac(l,n) + zMat%z_c(k+addnoco,n)*av
+               bc(l,n) = bc(l,n) + zMat%z_c(k+addnoco,n)*bv
+            enddo
+         END IF
       enddo
 
 c...now for the k+b point
@@ -269,10 +274,17 @@ c-----> construct a and b coefficients for the k+b point
          av = -c_1 * cmplx( dte_b(l),zks*te_b(l) )
          bv =  c_1 * cmplx( dt_b(l),zks*t_b(l) )
 c-----> loop over basis functions
-         do n = 1,nslibd_b
-            ac_b(l,n) = ac_b(l,n) + z_b(k+addnoco2,n)*av
-            bc_b(l,n) = bc_b(l,n) + z_b(k+addnoco2,n)*bv
-         enddo
+         IF(zMat_b%l_real) THEN
+            do n = 1,nslibd_b
+               ac_b(l,n) = ac_b(l,n) + zMat_b%z_r(k+addnoco,n)*av
+               bc_b(l,n) = bc_b(l,n) + zMat_b%z_r(k+addnoco,n)*bv
+            enddo
+         ELSE
+            do n = 1,nslibd_b
+               ac_b(l,n) = ac_b(l,n) + zMat_b%z_c(k+addnoco,n)*av
+               bc_b(l,n) = bc_b(l,n) + zMat_b%z_c(k+addnoco,n)*bv
+            enddo
+         END IF
       enddo