[Wannier] error

[Jonathan Yates]

On 9 Jan 2010, at 17:45, SUMANTA BHANDARY wrote:

> Dear W90 users,
>                               I have got an error when I run
> pw2wannier90.x saying :
>  task #         0
>      from davcio : error #        10
>      error while reading from file
>
> what could be the reason ? Thanks for your help .

Sumanta,

  The pwscf error message is rather terse - but it tells you that  
there was an error reading the wavefunction files from disk.

There are several ways to obtain this error. The most common is  
running pw.x in parallel (distributing k-points using npools) and not  
using the wf_collect option (to collect the wavefunctions in a single  
file). You need to do this as pw2wannier90 does not work when kpoints  
are distributed (only R/G parallelism works)

This has been covered on the mailing list before see eg
  http://www.democritos.it/pipermail/wannier/2008-January/000102.html

  If this doesn't solve your problem you will need to give us a bit  
more information to work with (version of pwscf/w90, instructions, etc)

  Jonathan






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Department of Materials, University of Oxford, Parks Road, Oxford, OX1  
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