Changeset 2910 for trunk/src/em_resp.F90

Timestamp:

05/14/07 15:48:34 (3 years ago)

Author:

xavier

Message:

Added the posibility of using non-local operators with the Sternheimer
equation, this is done by passing a set of ground state wavefunctions
with the operator applied to them instead of the local potential.
There is still the posibility of passing a local potential, to avoid
the memory cost of storing another set of wavefunctions.

Files:

• trunk/src/em_resp.F90 (modified) (1 diff)

trunk/src/em_resp.F90

@@ -246 +246 @@
               call zsternheimer_solve(sh, sys, h, em_vars%lr(dir, :, ifactor), 2 , &
                    em_vars%freq_factor(ifactor)*em_vars%omega(iomega) + M_zI * em_vars%eta, &
-                   sys%gr%m%x(:, dir), RESTART_DIR,&
+                   RESTART_DIR,&
                    em_rho_tag(em_vars%freq_factor(ifactor)*em_vars%omega(iomega), dir),&
-                   em_wfs_tag(dir, ifactor), have_restart_rho=(ierr==0))
+                   em_wfs_tag(dir, ifactor), have_restart_rho=(ierr==0),&
+                   vext = sys%gr%m%x(:, dir))
             else
               call dsternheimer_solve(sh, sys, h, em_vars%lr(dir, :, ifactor), 2 , &
                    em_vars%freq_factor(ifactor)*em_vars%omega(iomega), &
-                   sys%gr%m%x(:, dir), RESTART_DIR,&
+                   RESTART_DIR,&
                    em_rho_tag(em_vars%freq_factor(ifactor)*em_vars%omega(iomega), dir),&
-                   em_wfs_tag(dir, ifactor), have_restart_rho=(ierr==0))
+                   em_wfs_tag(dir, ifactor), have_restart_rho=(ierr==0), &
+                   vext = sys%gr%m%x(:, dir))
             end if