On Fri, 2014-07-18 at 21:35 +0400, ???? ???????? 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
