The ABINIT Users Mailing List ( CLOSED )

[Xavier Gonze <gonze@pcpm.ucl.ac.be>]

On 30 Oct 2007, at 17:05, asubedi wrote:

> Dear all,
>
> I know that you automatically get phonon DOS when doing
> electron-phonon calculation. Is there an option in ANADDB program to
> print out phonon frequencies at all points in BZ of some fine k-point
> sampling?

Dear Asubedi,

You will have to hack ANADDB.
Not very difficult : the information (phonon frequencies) for the
q points of the finer grid (defined by ng2qpt) is available
after the call to phfrq3 in the thm9.F90 routine, line 291 .
At that place, you can add the F90 lines needed to
print the wavevector and associated phonon frequencies.

Good luck,
Xavier