Hi, Have you tried matdyn.x to calculate \lambda?
Can you please send me your input file for lambda.x? > but if I increase the degauss larger than 1 In my experience, degauss up to 0.1 is sufficient to get converged \lambda. So, there is no need for such kind HUGE degauss. Bests, Eyvaz. ------------------------------------------------------------------- Prof. Eyvaz Isaev, Department of Physics, Chemistry, and Biology (IFM), Linkoping University, Sweden Theoretical Physics Department, Moscow State Institute of Steel & Alloys, Russia, isaev at ifm.liu.se, eyvaz_isaev at yahoo.com ----- Original Message ---- From: Wei Zhou <[email protected]> To: PWSCF Forum <pw_forum at pwscf.org> Sent: Tue, March 29, 2011 1:14:22 AM Subject: [Pw_forum] about the lambda and the int alpha2F dear users I want to calculate the elelectron-phonon coupling, but I found the lambda is always larger then int alpha2F, but if I increase the degauss larger than 1, then the lambda can equal the int alpha2F, but the degauss should be little than 1, so I fell puzzle, is there something wrong with me ? -- # degauss lambda int alpha2F <log w> N(Ef) 0.010 0.832693 0.648345 122.705 8.265196 0.020 0.829206 0.674542 123.132 8.626953 0.030 0.934942 0.748056 124.828 10.124415 0.040 0.992269 0.788636 125.307 10.954579 0.050 1.011396 0.801566 125.525 11.343069 0.060 1.023042 0.810451 125.690 11.551418 0.070 1.035084 0.820935 125.782 11.696555 0.080 1.047341 0.832322 125.801 11.819719 0.090 1.058079 0.842801 125.773 11.931143 0.100 1.066089 0.851119 125.728 12.031502 any help will be apprecialted ZhouDawei JiLin Universiyt ,ChangChun ,China zdw2000 at gmail.com _______________________________________________ Pw_forum mailing list Pw_forum at pwscf.org http://www.democritos.it/mailman/listinfo/pw_forum
