[Pw_forum] query on e-ph tutorial

[Paolo Giannozzi]

On Jan 29, 2012, at 7:30 , Ajit Vallabhaneni wrote:

> I mean will calculating those quantities across the IBZ sufficient
> to obtain the values thru out the entire BZ?

I don't think so: at a given q, you can sum over the IBZ of the small
group of q and symmetrize with the small group of q, or else, if you
sum over the IBZ of the symmetry group, you will need the unsymmetrized
quantity for all q vectors in the star of q.

> 2. In the tutorial on for calculating the "Electron-phonon  
> interaction coefficients"
> on the website of QE (http://www.fisica.uniud.it/~giannozz/QE- 
> Tutorial/tutorial_advph.html)

it is not "the website of QE": it is my website, where I keep a copy  
of some
files often used in tutorials. Unfortunately that part is obsolete.  
You should
look at the example 07.

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