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