[Pw_forum] Problem with Ni/Ni3Al system

[martins at if.uff.br]

Dear Gabriele and Fabio,

thanks for your replies! With relation to the Gabriele's concerns:

i) I use gfortran compiler under linux (Debian). The linear algebra  
packages are the standart for the distribution. I use too the MPICH to  
run the paralel jobs.

ii) With relation to the ecutrho variable, really I did not to improve  
its value. On the other hand, as Fabio told, the same input file  
runned in the Fabio's and Eugenio's machines. Moreover, I did some  
calculations (in paralel) to another supercells and they were fine.

Concerning the Fabio's question, the calculation stopped just in the  
beginning.

One more time, thanks!

Adriano

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Adriano de Souza Martins
Professor Adjunto III
Departamento de Física - ICEx
Polo Universitário de Volta Redonda
Universidade Federal Fluminense
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