[Pw_forum] pp.x - error in routine chdens

[Gabriele Sclauzero]

> 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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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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