[Pw_forum] Wrong frequencies on STO phonons

[Paolo Giannozzi]

On Jul 24, 2012, at 20:09 , Alejandro Rébola wrote:

> Apparently there's a change in the format of the file containing  
> the force
> constants (name.fc) in espresso 5.0.0 wrt to previous versions. In  
> 4.3.2,
> the name.fc contains the type of the structure on the second line  
> (e.g. cubic),
> but this line is absent in 5.0.0. This causes the matdyn.x code to  
> crash.
> Did anybody else have this problem?

I think it is this one:
http://qe-forge.org/scm/viewvc.php?view=rev&root=q-e&revision=9070

P.

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