[Pw_forum] Phonon weirdness with matdyn

Paolo Giannozzi giannozz at democritos.it
Wed Jun 24 21:46:05 CEST 2009


On Jun 24, 2009, at 20:49 , Miguel Martínez wrote:

> I've used both quantum-espresso 4.0.2

oops, I guess you are another victim of an ill-conceived change
I introduced without a careful testing. From file Doc/BUGS
(recently renamed Doc/release-notes):
---
Fixed in version 4.0.4:
[...]
   *  rigid.f90: the fix introduced in v. 4.0.1 to improve convergence
      wasn't really correct
---
Note that this affected the q2r.x + matdyn.x procedure!

P.
---
Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222





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