diff --git a/src/dplot/dplot_dump.F b/src/dplot/dplot_dump.F index dd2717ed18..a14c6e01fa 100644 --- a/src/dplot/dplot_dump.F +++ b/src/dplot/dplot_dump.F @@ -90,7 +90,7 @@ c . No_Of_Spacings(3)) 99498 format(6E13.5) enddo - else + else Do i = 1, nGrid Write(Out_Unit,'(f15.10)')values(i) End Do @@ -107,6 +107,7 @@ c End Do AppCh = Sum*Volume Write(LuOut,*) + Write(LuOut,'(a,e30.5)')' Tol_rho = ',tol_rho Write(LuOut,'(a,f30.5)')' Sum of elements = ',sum Write(LuOut,'(a,f30.5)')' Integration volume = ',volume Write(LuOut,'(a,f30.5)')' Integrated Charge = ',AppCh diff --git a/src/dplot/dplot_input.F b/src/dplot/dplot_input.F index 0f4cc74e07..a2f6d1fb58 100644 --- a/src/dplot/dplot_input.F +++ b/src/dplot/dplot_input.F @@ -63,6 +63,7 @@ c iroot = 1 ltransden = .true. ldiffden = .false. + tol_rho = 1d-40 c c try to get a scf movecs c @@ -263,10 +264,10 @@ c goto 10 c 1998 continue - tol_rho = 1d-15 If (.not. inp_f(tol_rho)) & Call ErrQuit('DPlot_Input: failed to read tol_rho',0, & INPUT_ERR) + tol_rho=max(1d-99,tol_rho) goto 10 c 1999 continue