[Pw_forum] pw.x does not work

[Yue-Wen Fang]

Dear Pablo,

I think you'd better show your input file if possible because the given
information is too limited.

Best Regards!
Yuewen Fang

2012/9/17 Pablo García Risueño <garcia.risueno at gmail.com>

> Dear Espresso experts
>
> I am making my first steps in Espresso. Unfortunately, I am still unable
> to make it run. After doing $ configure and $ make pw (Espresso 4),
> everything is all right. Howver, if I do
>
> $ /users/sol/risueno/Desktop/espresso-5.0.1-GPU/bin/pw.x < si.scf.in >
> si.scf.out
>
> No error message appears, but the scf calculation is not performed. The
> out file ends with:
>
>      Initial potential from superposition of free atoms
>
>      starting charge    9.99966, renormalised to   10.00000
>  T F
>
> Could anybody help me? Thank you very much
>
> --
> --
>
> Dr. Pablo García Risueño
>
> Institut für Physik, Humboldt Universität, Newtonstrasse 15 (Claudia-Draxl
> Group), 12489 Berlin, Germany
>
> Tel. +49 030 20937904
>
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>
>


-- 
----
Yue-Wen Fang
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