[Pw_forum] General question about occupations

[Paolo Giannozzi]

On May 6, 2010, at 15:26 , Julen Ibanez Azpiroz wrote:

>
> First of all thanks for answering. The word FERMI_ENERGY appears  
> two times in /lscratch/azpiroz/scf/scf.save/data-file.xml
> [...]
>     <FERMI_ENERGY type="real" size="1">
>  3.130244659417582E-002
>     </FERMI_ENERGY>

ok, the file looks good. Try to reproduce the same problem on a  
different
machine, or with a different compiler (and maybe as a first step on the
same machine and same compiler but differemt number of procesors).
Just copy the data directory and perform the same operation that gave
you "error reading Efermi" or whatever it was. If it is a real  
problem, it
should be reproducible.

P.
---
Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222