[Q-e-developers] Fwd: Quantum espresso, a chilean question :)

Paolo Giannozzi giannozz at democritos.it
Wed Jun 16 13:02:45 CEST 2010



Begin forwarded message:

> From: joaquin peralta <jperaltac at gmail.com>
> Date: June 16, 2010 1:27:58  GMT+02:00
> To: giannozz at democritos.it, paolo.giannozzi at uniud.it
> Subject: Quantum espresso, a chilean question :)
>
> Dear Professor Paolo Gianozzi.
>
> I'm Joaquín Peralta, I participate in the Latin American School of  
> espresso the last year in Chile. I write to make an ask about a  
> problem that I have with quantum-espresso. My problem its mentioned  
> in the qe-forum previously, and i just want ask if exist some  
> another way in order to correct the problem (is difficult in my  
> case recompile the code, because is extremely optimized by Eduardo  
> Menendez, I don't know if is a easy way), if is the only way, it's ok.
>
> My original problem are presented in this web page :
>
> http://www.democritos.it/pipermail/pw_forum/2009-November/015282.html
>
> and the last answer, was
>
> http://www.democritos.it/pipermail/pw_forum/2009-November/015299.html
>
> I attached my input file, Is a surface of Al (with a pyramid tip)  
> atoms that I can visualize using xcrysden without problems, so i  
> think that the cell parameters are good defined, i don't know why i  
> have this error, it's possible that it's a parallelization problem,  
> or code optimization? becasue in my single machine with espresso  
> 4.2 I not have this error message or CRASH file.
>
> Sorry for taking your time, and really I appreciate your answer.
>
> Thanks in advance
> Joaquin Peralta
>
> -- 
> ----------------------------------------------------
> Group of NanoMaterials
> ----------------------------------------------------
> http://www.gnm.cl
> ----------------------------------------------------
> Joaquín Andrés Peralta Camposano
> ----------------------------------------------------
> http://zeth.ciencias.uchile.cl/~jperalta
>
> In a world without frontiers,
> who needs Gates and Win.
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Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222





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