[Pw_forum] different results between version 5.0.3 and 5.1.1

[Paolo Giannozzi]

On Mon, 2014-12-08 at 19:19 +0800, Siew Hui Yeo wrote:

> May I know whether there is any change between V5.0.3 and V5.1.1 
> in the electron phonon part?

in Doc/release-notes there is this note that might be relevant 
for your case:

Fixed in 5.1 version:
[...]
   * PHonon: G=0 component of the deformation potential at q=0 was
    incorrect (the contribution from the average coulomb potential,
    i.e. the integral of the Coulomb contribution on the unit cell,
    was missing). For more details, see M. Calandra et al.
    Phys. Rev. B 82 165111 , section III B.

Paolo

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