Some more changes to integrate the Wannier code

wannier/CMakeLists.txt

@@ -62,7 +62,7 @@ wannier/wann_plot_from_lapw.f
 wannier/wann_plot_symm.f
 wannier/wann_plot_um_dat.F
 wannier/wann_plot_vac.F
-wannier/wann_plotw90.F
+#wannier/wann_plotw90.F
 wannier/wann_postproc.F
 wannier/wann_postproc_setup4.f
 wannier/wann_postproc_setup5.f

wannier/wann_mmk0_od_vac.F

@@ -23,7 +23,7 @@ c***************************************************************
      >     ig,nmzxy,nmz,delz,ig2,n2d_1,
      >     bbmat,evac,bkpt,MM,vM,vz,odi,
      >     nslibd,jspin,k1,k2,k3,jspd,nvd,area,
-     >     nbasfcn,neigd,z,nv,sk2,phi2,omtil,qss,
+     >     nbasfcn,neigd,zMat,nv,sk2,phi2,omtil,qss,
      <     mmn)
 
       use m_constants, only : pimach
@@ -35,6 +35,8 @@ c***************************************************************
 
       implicit none
 
+      TYPE(t_zmat), INTENT(IN) :: zMat
+
       TYPE(t_dimension),INTENT(IN)   :: DIMENSION
       TYPE(t_oneD),INTENT(IN)        :: oneD
       TYPE(t_vacuum),INTENT(IN)      :: vacuum
@@ -60,12 +62,6 @@ c     ..array arguments..
       integer, intent (in) :: k1(:,:),k2(:,:),k3(:,:)!k1(nvd,jspd),k2(nvd,jspd),k3(nvd,jspd)
       complex, intent (inout) :: mmn(:,:)!mmn(nslibd,nslibd)
 
-#if ( !defined(CPP_INVERSION) || defined(CPP_SOC) )
-      complex, intent (in):: z(:,:) !z(nbasfcn,neigd)
-#else
-      real,    intent (in):: z(:,:) !z(nbasfcn,neigd)
-#endif
-
 c     ..basis wavefunctions in the vacuum
       real,    allocatable :: udz(:,:)
       real,    allocatable :: uz(:,:)
@@ -160,14 +156,25 @@ c     ..intrinsic functions..
      *              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          ! k = 1,nv

wannier/wann_mmk0_vac.F

@@ -20,12 +20,15 @@ c***************************************************************
      >     ig,nmz,delz,ig2,area,bmat,
      >     bbmat,evac,bkpt,vz,
      >     nslibd,jspin,k1,k2,k3,jspd,nvd,
-     >     nbasfcn,neigd,z,nv,omtil,
+     >     nbasfcn,neigd,zMat,nv,omtil,
      <     mmn)
 
+      USE m_types
       use m_constants, only : pimach
       implicit none
 
+      TYPE(t_zmat), INTENT(IN) :: zMat
+
 c     .. scalar Arguments..
       logical, intent (in) :: l_noco
       integer, intent (in) :: nlotot
@@ -49,12 +52,6 @@ c     ..array arguments..
       integer, intent (in) :: k3(:,:) !k3(nvd,jspd)
       complex, intent (inout) :: mmn(:,:) !mmn(nslibd,nslibd)
 
-#if ( !defined(CPP_INVERSION) || defined(CPP_SOC) )
-      complex, intent (in):: z(:,:) !z(nbasfcn,neigd)
-#else
-      real,    intent (in):: z(:,:) !z(nbasfcn,neigd)
-#endif
-
 c     ..basis wavefunctions in the vacuum
       complex, allocatable :: ac(:,:),bc(:,:)
       real,    allocatable :: dt(:),dte(:)
@@ -175,10 +172,17 @@ c-----> construct a and b coefficients
           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
 
         do l = 1,nv2