[Pw_forum] electron-phonon output explanation
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'
> 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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