[Pw_forum] What files are needed when pw.x restarts? In what case the *.wfc files are need?

[gbliu]

于 2011/7/28 23:30, Paolo Giannozzi 写道:
> On Jul 27, 2011, at 9:41 , Seyed Javad Hashemifar wrote:
>
>> I guess if you set wf_collect=.true. the collection of *.wfc files
>> is done after
>> reaching self consistency not after each iteration. Probably, the
>> evc.dat files
>> are the collected *.wfc files
> I can confirm this
>
Now that *.wfc are collected only after consistency is reached and 
appear as evc.dat, a restarted pw.x scf run can not use them and only 
charge density available. Is this right, for parallel jobs?

> P.
> ---
> Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
>
>
>
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