[Pw_forum] projwfc.x error

Changru Ma crma at sissa.it
Wed Feb 23 08:45:08 CET 2011

Dear Yuyang,

Please read user guide, page 56.

On 23 Feb, 2011, at 05:13, YY wrote:

> Dear All,
> After the scf calculation, I try to use projwfc.x to calculate the PDOS, but get an error message like this:
>     Calling projwave .... 
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>      from davcio : error #        10
>      error while reading from file
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> I am sure the inputfile is right and the related files exists, because I can calculate total DOS by dos.x correctly.
> I search the archive of this forum, the same problem was report several times, but no clear answer.
> I compiled pw.x and projwfc.x from the same version source code (v4.2.1).
> No matter I use 1 CPU or the same number CPUs as used in pw.x, I get the same error message.

Either use wf_collect = .t. or use the same number CPUs as used in pw.x

I suggest you to check if outdir and prefix are the same first.

Best wishes,

Changru Ma
SISSA & Theory at Elettra group
email: crma at sissa.it
tel: +39 040 375 8713 (Elettra)
      +39 040 378 7870 (SISSA)

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