[Pw_forum] pwscf could not find wavefunction

Paolo Giannozzi p.giannozzi at gmail.com
Wed Aug 31 21:48:03 CEST 2016


Dear Jia

1) which version of the code are you using?
2) parallel or serial execution?
3) if parallel, are you writing to/reading from a parallel file system?
4) have you used the "wf_collect" option?

Paolo


On Wed, Aug 31, 2016 at 8:41 PM, Jia Chen <jiachenchem at gmail.com> wrote:

> Dear All,
>
> I am having troubles with restarting calculations with existing
> wavefunctions. I have restart_mode = 'from_scratch', outdir = './'   wfcdir
> = './' and startingwfc = 'file'. Wave functions file are in
> './prefix.save/K00.../' And I keep getting error "wavefunctions unit
> (iunwfc) is not opened"
> I would like to know how to let pwscf read existing wavefunction. Thank
> you very much.
>
> Cheers
> Jia
>
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> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>



-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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