[Pw_forum] about projwfc.x

[Amin Babazadeh]

Dear Ruslan
1.Check your outdir and be sure that it is correct.
2.for making pdos file you can use the file that is in the example08 (the
file name is ni.pdos.in)
in that file you can see Gaussian delta and some another commend.
I thought it will help you.
Regards.
amin

Are

On 10/10/06, Ruslan Minibaev <sodovar at gmail.com> wrote:
>
> Dear all!
>
> I perform calculation of oxide surface.
> I've made following steps:
> 1) relax mode  - OK
> 2) scf mode     - OK
> 3) nscf mode   - OK4)
> total dos     -  OK
>  On the next step I should separate surface states from the total DOS of
> a slab.
> If I understood correctly it can be done with use of projwfc.x
>
> Input file for projwfc.x:
> &inputpp
>     outdir='./'
>     filpdos='PDOS.dos',
>     Emin=-30.0, Emax=25.0, DeltaE=0.05
>  /
> This mode failed:
>
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>      task #         0
>      from  read_restart_wfc  : error #         1
>       Data Section not present in restart file
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
>  What's the reason of the error?
>
> Best regards,
> Ruslan Minibaev.
>



-- 
AMIN
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