[Pw_forum] npool and electron phonon calculation

Paolo Giannozzi giannozz at democritos.it
Sun Jun 27 20:48:51 CEST 2010

On Jun 27, 2010, at 20:43 , Paolo Giannozzi wrote:

> I wouldn't say it is hard, but it is not trivial and this is why it  
> was
> never implemented.

actually there is also another reason. The current implementation
of electron-phonon coefficients is not satisfactory. There are
better algorithms around, thus investing in the old algorithm
doesn't seem such a great idea. Software implementing
Wannier interpolation for electron-phonon calculations has
been released recently and works in conjunction with QE:
see epw.org.uk

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

More information about the users mailing list