[Pw_forum] electron-phonon output explanation

XiaoSong Du dxs571 at mail.ustc.edu.cn
Thu Sep 1 15:43:26 CEST 2005


In the test of electron-phonon coefficient, the lambda was caculated using several
values of gaussian broadening from 0.01-0.1, but the inputfile of non-scf
caculation has already gotten a degauss value of 0.022, what's the matter?And how
i can control gaussian broadening range?
And the output file contains such result
  Gaussian Broadening:   0.030 Ry, ngauss=   1
     DOS =  2.225329 states/spin/Ry/Unit Cell at Ef=  8.330064 eV
     double delta at Ef = 16.641185
     lambda( 1)=  0.192566   gamma= 14.766974 GHz
     lambda( 2)=  0.192566   gamma= 14.766974 GHz
     lambda( 3)=  0.205463   gamma= 46.832268 GHz 
What's the meaning of three gammas in parallel to lambda?Does it have something 
with the phonon frequency 
     omega( 1) =       6.007176 [THz] =     200.379142 [cm-1]
     omega( 2) =       6.007176 [THz] =     200.379142 [cm-1]
     omega( 3) =      10.356665 [THz] =     345.463465 [cm-1] ?
Thanks to your reply.Best wishs





More information about the users mailing list