[Pw_forum] (no subject)

[Paolo Giannozzi]

On Saturday 13 March 2004 14:37, Raghani Pushpa wrote:

> I was doing the phonon calculations on bulk alpha-gallium at gamma point.
> there are 8 atoms in the unit cell and the program achieves the self
> consistency for all the 24 irreps but at the end 24th irrep, it says
> 'Found additional translation:   -0.5000    0.0000   -0.5000' and the
> program gets killed. and it doesn't find the frequencies and eigenvectors.
> what could be the problem for this?

what I wrote a few days ago:

http://www.democritos.it/pipermail/pw_forum/2004-March/000929.html

applies to this case as well. Paolo
-- 
Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
Piazza dei Cavalieri 7      I-56126 Pisa, Italy