[Pw_forum] why la2f is not listed in input_pw.html?

Paolo Giannozzi p.giannozzi at gmail.com
Thu Jun 22 16:23:03 CEST 2017


It's not listed because I think that it shouldn't exist (anybody who
thinks it should is invited to write the documentation) and would like
to see it disappear. In a well-organized code, one would perform a
non-scf calculation with a dense k-point grid as usual; then the
phonon code should take care of reading the electron eigenvalues only
from the output data file of the dense-grid calculation. There is no
need to have a specific option and a specific file just for that.

Paolo

On Thu, Jun 22, 2017 at 1:36 PM, balabi <balabi at qq.com> wrote:
> Dear developers,
>     According to PHonon Users' guide 6.1, section 4.3. When calculating
> electron-phonon interaction coefficients, we need to "specify option
> la2f=.true. to pw.x in order to save a file with the eigenvalues on the dense
> k-point grid".
>     But la2f option is not listed in input_pw.html. So I am wondering why.
> Do we still need this option? Or is this option replaced by other options?
>
> best regards
>
>
>
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222




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