[Pw_forum] electron-phonon output explanation

Paolo Giannozzi giannozz at nest.sns.it
Thu Sep 1 16:50:18 CEST 2005

On Thursday 01 September 2005 15:43, XiaoSong Du wrote:

> In the test of electron-phonon coefficient, the lambda was 
> calculated using several values of gaussian broadening from 
> 0.01-0.1, but the input file of non-scf calculation has already 
> gotten a degauss value of 0.022 

they serve different purposes and so they are different

> And how i can control gaussian broadening range?

see file PH/elphon.f90, routine elphsum, parameters 'nsig'
and 'degauss1'

> What's the meaning of three gammas in parallel to lambda?

lambda = gamma/(pi N(Ef) omega^2)

There is some documentation on electron-phonon calculations
in the manual and in example 7. The answer to many questions 
can ofter be found in the archives of pw_forum, that are 
accessible (and searchable) via the www.pwscf.org web site

Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
Piazza dei Cavalieri 7      I-56126 Pisa, Italy

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