[Pw_forum] Which subroutine is related to the atomic displacement in DFPT

[Paolo Giannozzi]

On Jan 12, 2012, at 17:20 , Caloma Trumica wrote:

> Can you comment on this thread.

there is nothing to comment. The phonon code is very complex
(36000 specific lines, plus many thousands more from PW and
from libraries). I would say it is the most complex in the QE
distribution. Without a clear idea of how the theory works, or
even WITH a clear idea, it is hard to understand how the code
works. The only way is to delve into the code and figure out
what the different pieces do; then, locate the piece that performs
the operations you are interested in.

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