[Pw_forum] Still need help with Tc calculation

[Paolo Giannozzi]

On Jan 14, 2013, at 18:10 , dt331 at bath.ac.uk wrote:

> I have already written twice to the list with no response.

try again and you will get a refund :-)

> I am just using gamma as the only q-point while I test my methods.

not a great idea, I suspect. The electron-phonon coefficients at q=0
are zero for acoustic phonons, diverge for optic ones, IIRC.

>     electron_phonon='interpolated'

I don't think the interpolation machinery will work with a single phonon
wavevector. The simplest approach is to use electron_phonon='simple'

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