[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
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