[Pw_forum] pp.x - error in routine chdens

Mohamad Moadeli mohammad.moaddeli at gmail.com
Tue Jan 6 06:42:04 CET 2015


Thanks for your help,
It works.

MM

On Mon, Jan 5, 2015 at 4:17 PM, Gabriele Sclauzero <
gabriele.sclauzero at gmail.com> wrote:

>
>
> Dear all users,
>
> I am trying to run pp.x for 1 layer graphene.
> here is the input:
> =================================
> &inputPP
>    prefix= '1l-gr',
>    outdir='tmp',
>    plot_num=11,
>    filplot = 'gr.pot'
> /
>
> &plot
>    iflag=3,
>    output_format=3,
> /
> =================================
>
> According to the input_pp documentation, I don't need to include any of
> nx, ny, and nz variables in pp.in file.
>
>
> Only if you use
>
> output_format=5
>
> if I understand correctly what is written in the documentation.
>
>
> GS
>
>
> Here is the problem:
> ***************
> Error in routine chdens (1) :
> nx, ny, nz required
> ***************
> Any help will be appreciated.
>
> Mohammad Moaddeli
> Shahid Chamran University of Ahvaz, Ahvaz, Iran
> _______________________________________________
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> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>
>
>
> Dr. Gabriele Sclauzero
> Materials Theory (D_MATL)
> ETH Zurich, HIT G 43.2
> Wolfgang-Pauli-Str. 27
> 8093 Zürich, Switzerland
>
> Phone +41 44 633 94 10
> Fax +41 44 633 14 59
> gabriele.sclauzero at mat.ethz.ch
> www.theory.mat.ethz.ch/people/postdocs/gsclauze
>
>
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>
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