[Pw_forum] electron-phonon interaction

Paolo Giannozzi giannozz at nest.sns.it
Wed Mar 26 15:55:02 CET 2008


On Mar 26, 2008, at 1:45 , Li yan-ling wrote:

> Now I want to calculate the electron-phonon coefficient lamda, a error
> occurs after the *.dyn1 was finished. The error is as follows:

>      from lint : error #         2
>      cannot locate  k point  xk


once again and for the last time:
- the calculation of electron-phonon coefficients requires some care,
in particular in the choice of the k-point grids. See the README of
example 7.
- the present algorithm is unsatisfactory in several respects and will
be replaced, hopefully soon, by a better algorithm, so nobody is
going to fix it (assuming that it is broken, which I don't believe)

Paolo
---
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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