[Pw_forum] Regarding degaussq in lambda.f90
Kondaiah Samudrala
konda.physics at gmail.com
Tue Apr 26 05:10:25 CEST 2016
Dear all,
Shall anyone suggest me the degaussq (in Thz) parameter in lambda.f90.
Specifically, how can we choose from our elph.out file??. I just simply
change with different values and found surprising Tc values. See the Below
values for two sets
For degauss 3618.82763 (summed over all degauss in elph.out and converted
the same from Ry to THz)
lambda omega_log T_c
1.22714 36.309 2.611
0.84093 36.309 1.228
0.67878 36.309 0.633
0.60015 36.309 0.382
0.59602 36.309 0.370
0.65488 36.309 0.552
0.73239 36.309 0.822
0.80209 36.309 1.081
0.85629 36.309 1.286
0.89468 36.309 1.432
For degauss 0.12 (which is given in examples file)
lambda omega_log T_c
1.22714 148.755 10.697
0.84093 153.319 5.186
0.67878 159.776 2.784
0.60015 162.623 1.711
0.59602 159.329 1.624
0.65488 153.195 2.330
0.73239 148.374 3.361
0.80209 145.126 4.321
0.85629 142.853 5.061
0.89468 141.194 5.569
Hoping positive reply .. Thanks in advance
with best regards
S. Appalakondaiah
Research Scholar
SAINT, SKKU
South Korea
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20160426/19751a98/attachment.html>
More information about the users
mailing list