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

gbliu goodluck_1982 at 163.com
Sun Jul 31 11:55:38 CEST 2011


>> 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.
> it cannot use them to "restart", i.e. to continue an incomplete
> calculation.
>

Thanks!

Liu

> 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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