The ABINIT Users Mailing List ( CLOSED )

[Masao ARAI <ARAI.Masao@nims.go.jp>]

Dear all,

I would like to ask some questions about electron-phonon analysis
with anaddb.

I have successfully finished the tutorial about "electron-phonon
interaction and superconducting properties" as described in
"lesson_elphon.html".

However, when I modified the parameters "nqpath" and "qpath"
in "telphon_4.in", the calculated superconducting properties changed.

For example, the isotropic lambda value is  9.687293 with the original
parameter:

nqpath 7
qpath
0.0 0.0 0.0
1/2 1/2 0.0
1   1   1
1/2 1/2 1/2
1/2 1/2 0.0
1/2 3/4 1/4
1/2 1/2 1/2

When I modify the parameter to the following value:

nqpath 2
qpath
   0.0 0.0 0.0
  1/2 1/2 0.0

the lambda becomes 9.712434.

Are these changes expected?
If so, I would appreciate if someone kindly explain the
appropriate choice of nqpath and qpath.

(I use abinit-5.3.4 compiled by PGI fortran on an Opteron machine)

Best regards,
Masao Arai