[Wien] help on saved files

[Stefaan Cottenier]

> In the same session, I run a SCF for 100 k pts,
> then,save all files in the name case-k100...., then I
> change the k pts to 500, and run SCF again, save the
> all new files in the name case-k500....
> Is it still possible for me to go back to the task for
> 100k pt to calculate the DOS and electron density
> after I finish the 500k pt SCF? Now, I did in the most
> stupid way, just redo the SCF for 100k pts. I bet
> there should be some better ways. Could you give some
> suggestions? Thanks.

Do 'restore -f case-k100'. Still, you have to run 1 iteration after 
this, to recreate the necessary temporary files. Check whether :DIS 
remains low after that single iteration (might be a problem sometimes 
with -in1new).

Stefaan