[Pw_forum] Regarding Smearing, Temprature effects and kohn Anomaly

Kondaiah Samudrala konda.physics at gmail.com
Wed Apr 27 09:07:02 CEST 2016


Dear all,

I am just confusing with smearing effects to consider the Kohn anomaly.
>From several papers I observed Smearing factor play important role in Kohn
anomaly (or precisely say "effect on soft phonons" with smearing values).

>From my understanding, smearing factor contribute the electronic
temperature and it works very well in the usage of FD smearing..

So, Shall I use FD smearing for electronic part and gaussian smearing for
lambda.x calculations ??? ( From manual I got only mp and gauss only
implemented)

Or please give me suggestion/path for calculate Tc values in the case of
 materials which are having kohn anomaly

with best regards
S. Appalakondaiah
Research Scholar,
SAINT, SKKU
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