Index: nwdft/lr_tddft_grad/tddft_grad_input.F
===================================================================
--- nwdft/lr_tddft_grad/tddft_grad_input.F	(revision 26889)
+++ nwdft/lr_tddft_grad/tddft_grad_input.F	(revision 26891)
@@ -12,6 +12,7 @@
 #include "global.fh"
 #include "geom.fh"
 #include "stdio.fh"
+#include "util.fh"
 #include "case.fh"
 c
       integer rtdb
@@ -24,40 +25,17 @@
       character*255 test
       character*32 pname
 c
+      logical lcivecs
+      character*(nw_max_path_len) fn_civecs     
+c
       pname="tddft_grad_input: "
 c
-c     --------
-c     Defaults
-c     --------
+c     -------------------------------
+c     TDDFT default gradient settings
+c     -------------------------------
 c
-c     TDDFT gradient settings
+      call tddft_grad_defaults(rtdb)
 c
-      iroot = 1
-      if (.not.rtdb_put(rtdb,'tddft_grad:isinglet_roots',mt_int,1,
-     & iroot)) call errquit(pname//'failed to write iroot',0,RTDB_ERR)
-      if (.not.rtdb_put(rtdb,'tddft_grad:itriplet_roots',mt_int,1,
-     & iroot)) call errquit(pname//'failed to write iroot',0,RTDB_ERR)
-      if (.not. rtdb_put(rtdb,'tddft_grad:iroots',mt_int,1,iroot))
-     &  call errquit(pname//'failed to write iroot',0,RTDB_ERR)
-c
-      solve_thresh = 1d-04
-      if (.not. rtdb_put(rtdb,'tddft_grad:solve_thresh',mt_dbl,
-     &           1,solve_thresh))
-     &  call errquit(pname//'failed to write solve_thresh',0,RTDB_ERR)
-c
-c    Default consistent with what is present 
-c    in the TDDFT gradient routine (tddft_grad_init.F)
-c
-      solve_maxsub = 40
-      if (.not. rtdb_put(rtdb,'tddft_grad:solve_maxsub',mt_int,
-     &           1,solve_maxsub))
-     &  call errquit(pname//'failed to write solve_maxsub',0,RTDB_ERR)
-c 
-      solve_maxit = 250
-      if (.not. rtdb_put(rtdb,'tddft_grad:solve_maxit',mt_int,
-     &           1,solve_maxit))
-     &  call errquit(pname//'failed to write solve_maxit',0,RTDB_ERR)
-c
 c     ----------
 c     Read input
 c     ----------
Index: nwdft/lr_tddft_grad/GNUmakefile
===================================================================
--- nwdft/lr_tddft_grad/GNUmakefile	(revision 26889)
+++ nwdft/lr_tddft_grad/GNUmakefile	(revision 26891)
@@ -19,7 +19,7 @@
       tddft_grad_store_gradient.o tddft_grad_util_print.o \
       tddft_grad_solve_load_x.o tddft_grad_solve_save_x.o \
       tddft_grad_dxcdmat.o tddft_grad_dfxc.o tddft_grad_quadv0b.o \
-      tddft_grad_dvxc.o
+      tddft_grad_dvxc.o tddft_grad_defaults.o
 
 OBJ_OPTIMIZE = 
 
Index: nwdft/lr_tddft_grad/tddft_grad_defaults.F
===================================================================
--- nwdft/lr_tddft_grad/tddft_grad_defaults.F	(revision 0)
+++ nwdft/lr_tddft_grad/tddft_grad_defaults.F	(revision 26891)
@@ -0,0 +1,64 @@
+c
+c     tddft gradients defaults
+c
+      subroutine tddft_grad_defaults(rtdb)
+c
+      implicit none
+c
+#include "errquit.fh"
+#include "inp.fh"
+#include "mafdecls.fh"
+#include "rtdb.fh"
+#include "global.fh"
+#include "geom.fh"
+#include "stdio.fh"
+#include "util.fh"
+#include "case.fh"
+c
+      integer rtdb
+c
+      integer iroot                 ! specific root
+      double precision solve_thresh ! convergence threshold for solver
+      integer solve_maxit           ! maximum number of iterations in solver
+      integer solve_maxsub          ! maximum number expansion vectors per root
+c
+      character*255 test
+      character*32 pname
+c
+      logical lcivecs
+      character*(nw_max_path_len) fn_civecs     
+c
+      pname="tddft_grad_defaults: "
+c
+      iroot = 1
+      if (.not.rtdb_put(rtdb,'tddft_grad:isinglet_roots',mt_int,1,
+     & iroot)) call errquit(pname//'failed to write iroot',0,RTDB_ERR)
+      if (.not.rtdb_put(rtdb,'tddft_grad:itriplet_roots',mt_int,1,
+     & iroot)) call errquit(pname//'failed to write iroot',0,RTDB_ERR)
+      if (.not. rtdb_put(rtdb,'tddft_grad:iroots',mt_int,1,iroot))
+     &  call errquit(pname//'failed to write iroot',0,RTDB_ERR)
+c
+      solve_thresh = 1d-04
+      if (.not. rtdb_put(rtdb,'tddft_grad:solve_thresh',mt_dbl,
+     &           1,solve_thresh))
+     &  call errquit(pname//'failed to write solve_thresh',0,RTDB_ERR)
+c
+      solve_maxsub = 40
+      if (.not. rtdb_put(rtdb,'tddft_grad:solve_maxsub',mt_int,
+     &           1,solve_maxsub))
+     &  call errquit(pname//'failed to write solve_maxsub',0,RTDB_ERR)
+c 
+      solve_maxit = 250
+      if (.not. rtdb_put(rtdb,'tddft_grad:solve_maxit',mt_int,
+     &           1,solve_maxit))
+     &  call errquit(pname//'failed to write solve_maxit',0,RTDB_ERR)
+c
+      lcivecs = .true.
+      call util_file_name('civecs',.false.,.false.,fn_civecs)
+      if (.not.rtdb_cput(rtdb,'tddft:civecs',1,fn_civecs))
+     1   call errquit('tddft_input: failed writing to rtdb',0,RTDB_ERR)
+        if (.not.rtdb_put(rtdb,'tddft:lcivecs',mt_log,1,lcivecs))
+     1   call errquit('tddft_input: failed writing to rtdb',0,RTDB_ERR)
+
+      return
+      end
Index: nwdft/lr_tddft/tddft_input.F
===================================================================
--- nwdft/lr_tddft/tddft_input.F	(revision 26889)
+++ nwdft/lr_tddft/tddft_input.F	(revision 26891)
@@ -229,6 +229,10 @@
       if (.not.rtdb_put(rtdb,'tddft:gmh',mt_log,1,gmh))
      1  call errquit('tddft_input: failed writing to rtdb',0, RTDB_ERR)
 c
+c     GRAD (set default TDDFT gradient settings)
+c
+      call tddft_grad_defaults(rtdb)
+c
 c ----------
 c Read input
 c ----------
@@ -627,10 +631,7 @@
         call errquit('tddft_input: unknown directive',0, INPUT_ERR)
       endif
       goto 10
+c     
+ 20   return
 c
-c ------
-c Return
-c ------
-c
- 20   return
       end