[Wien] which file I can delete

Dr. K. C. Bhamu kcbhamu85 at gmail.com
Mon Apr 25 08:58:47 CEST 2016


Thank you all for nice explanation. I got the point.

Sincerely
Bhamu


On Mon, Apr 25, 2016 at 12:20 PM, Xavier Rocquefelte <
xavier.rocquefelte at univ-rennes1.fr> wrote:

> 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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>
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