[Pw_forum] Regarding "elph.gamma.1" in Electron phonon calculations using PWSCF-5.3.0
Kondaiah Samudrala
konda.physics at gmail.com
Wed May 11 09:53:02 CEST 2016
Dear Ayria,
Thank you for the response..
"elph.#iq.#irr.xml contains the contribution to the electron phonon
coefficients at the q vector #iq of the representation #irr. These files
are written by elphel and contain the quantities g_qÎœ (k, i, j)
Yes.. I am agree with you. But these are placed in elph_dir folder
(which are called now as elph.inp_lambda.1 to no of q points).
On the other side, we will get elph.gamma.1, elph.gamma.2 and up to
elph.gamma.10 after the plotband.x calculations
(since el_ph_nsigma = 10 for my calculation. So, elph.gamma.XX should
relate to different smear values?? If so, How to we plot it??)
Here I am worrying and want to know about the description of these.
Also, I too searching about the expert explanation on EL-PH
calculations using PWSCF. Precisely,
1) what is the el_ph_sigma ?? is it different from degauss of
electronic calculations??
2) how to we choose degauss in lambda.x calculations?? (manual
specified different from phonon calculations)
3) how to calculate phonon line widths from our calculations ??
These are basic things repeatedly asking in the forum and not having
specific documentation.
Hope some expert will discuss about these..
with best regards
S. Appalakondaiah
Research scholar
SAINT, SKKU
South korea
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