[Pw_forum] A question about the Ph.x code.

[Paolo Giannozzi]

On Jul 18, 2012, at 13:42 , Claudio Perottoni wrote:

> Try setting  epsil=.true. in your input file.

it is not sufficient: the code cannot calculate the dielectric
tensor for what appears to be a metal (even if it isn't).
A simple solution might be to perform a calculation with
fixed occupancies read from input, starting from the
self-consistent charge density, before the phonon
calculation

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