Possibility to increase the number of vectors to be computed

• possibility to change nvec after a restart to ask for more vectors
• possibility to specify the number of converged vectors to increase the convergence threshold on some vectors

src/RelaxSE_diag.F90

@@ -293,6 +293,7 @@ contains
        write(f_output,'(X,A6,X,A12,X,A12,X,A12,2X,A)') &
             '#Iter', 'tallCPU (s)', 'tCPU0 (s)', 'tWall0 (s)', "Energies"
        write(*,*) '#tCPU (s) : tWall (s) : tCPU/tWall : intkind : DblockI : DblockJ : spin'
+       write(*,*) 
 #else
        write(f_output,'(X,A6,X,A12,X,A12,2X,A)') '#Iter', 'tCPU (s)', 'tWall (s)', "Energies"
        write(667,*) '#tCPU (s) : tWall (s) : tCPU/tWall : intkind : DblockI : DblockJ : spin'
@@ -349,7 +350,7 @@ contains
           write(f_restart) (psi_SASS(idet,ivec),idet=1,ndet)
        end do
        flush(f_restart)
-       
+            
        !---  debug
        if (debugdav) then
           write(fdav,*) "psi_SASS - Iter =", iter
@@ -616,7 +617,7 @@ contains
     Ener_np1(:)  = 0.d0
     !if (.not.debugmat) then
 #ifdef VAR_MPI
-    if ((prog_info%id_cpu.eq.0).and.(prog_info%iprint.gt.0)) then
+    if ((prog_info%id_cpu.eq.0).and.(prog_info%iprint.gt.1)) then
        write(*,*) ''
        write(*,*) '>>>> Compute error'
        write(*,*) ''
@@ -790,7 +791,7 @@ contains
     close(f_mat)
     close(f_mat2)
     close(f_bmat)
-    if (debugdav) close(666)
+    if (debugdav) close(fdav)
     close(667)
     close(f_Vm,status="delete")
     close(f_Wm,status="delete")
@@ -910,7 +911,7 @@ contains
 
 
 #ifdef VAR_MPI
-    if ((prog_info%id_cpu.eq.0).and.(prog_info%iprint.gt.0)) then
+    if ((prog_info%id_cpu.eq.0).and.(prog_info%iprint.gt.1)) then
        write(*,*) ''
        write(*,*) '>>>> Iteration', iter
        write(*,*) ''
@@ -1427,7 +1428,7 @@ contains
 1000 continue
     
     if ((prog_info%id_cpu .eq. 0).and. (prog_info%iprint .ge. 0))  then
-       write(*,*) 'Final Sum Wall time on the dfifferent CPUs'
+       write(*,*) 'Final Sum Wall time on the different CPUs'
        write(*,*) sum_wall(:)
     endif