[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
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