[Pw_forum] about electron phonon coupling

[Paolo Giannozzi]

On Jan 19, 2010, at 9:29 , 程迎春 wrote:


> 1, What is the unit of Gaussian broadening? Ry, Hatree, or eV?

Gaussian broadening are everywhere in Ry

> 2, There are ten different broadening (0.005-0.05).  Which broadening
> should be chosen?

the smallest that yields converged values for the number of k-points
you can afford

> [...] in QE4.1, pw.x can not do 'calculation=phonon' job.
> Is there any other alternative method to calculate the el-ph on a
> special q point?

no, you have to implement it by yourself

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