[Pw_forum] Appliance of ph.x

[Paolo Giannozzi]

On Fri, 2014-07-18 at 21:35 +0400, Иван Булдашев wrote:

> Can I use ph.x for phonons calculation of frequencies for system Fe-V
> with 54 atoms (full interval of different concentrations)?

a 54-atom cell is definitely feasible. It is not a simple task, 
though: it may take many hours on many processors. How many hours
on how many processors depend upon the specific system.

P.
-- 
 Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
 Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
 Phone +39-0432-558216, fax +39-0432-558222