[Wien] which file I can delete
Xavier Rocquefelte
xavier.rocquefelte at univ-rennes1.fr
Mon Apr 25 08:50:24 CEST 2016
Indeed I never use the scf file when I restart a calculation.
Have a nice week
Xavier
Le 25/04/2016 08:38, Stefaan Cottenier a écrit :
>
>>> You must use the command
>>>
>>> restore_lapw -d directory
>>
>> Apparently, your computer works better than ours. I also don't see the
>> case.scf restored unless the script is modified:
>
> The philosophy of restore_lapw is to be able to start a new
> calculation based on the starting point of a previously saved one. It
> is not meant to restore a previous snapshot and continuing that very
> same scf-cycle (although indeed the name might suggest so). That's why
> case.scf is not restored.
>
> Best,
> Stefaan
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at:
> http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
More information about the Wien
mailing list