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

Paolo Giannozzi giannozz at democritos.it
Fri Jul 29 18:04:01 CEST 2011


On Jul 29, 2011, at 12:07 , gbliu wrote:

> 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.

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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