On Fri, 2013-12-06 at 11:25 +0000, Alex Granov wrote: > In QHA examples there is a file called *.fc and it seems that > the file should be present to compute thermodynamics properties. > Is fc file related to force constants
it is > and how we can prepare it ? phonon calculation for a grid of wave-vectors + q2r.x utility. See e.g. PHonon/examples/example02 P. -- Paolo Giannozzi, Dept. Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
