[Pw_forum] Reg: Tc value for particular degauss values
Peram sreenivasa reddy
peramsreenivas at gmail.com
Sat Jan 4 07:20:22 CET 2014
Dear Lorenzo,
Thank you very much for your replay.
As you told if i include the two options in my input file/script file can i
get the values up to 0.08.
Thanking you ...
On Fri, Jan 3, 2014 at 11:05 PM, Lorenzo Paulatto <
lorenzo.paulatto at impmc.upmc.fr> wrote:
> Dear Param,
> the electron phonon calculation does not use the vale of sigma from the
> electronic caculation, but a series of values that you specify in the
> phonon input.
>
> I'm not sure if these variables are documented, if they are not, use e.g.:
>
> el_ph_sigma=0.01,
> el_ph_nsigma=50,
>
> Which means 50 values of smearing from 0.01Ry to 50*0.01 Ry = 0.5 Ry
>
>
> cheers
> --
> Dr. Lorenzo Paulatto
> IdR @ IMPMC -- CNRS & Université Paris 6
> phone:+33 (0)1 44275 084 / skype: paulatz
> www: http://www-int.impmc.upmc.fr/~paulatto/
> mail: 23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 5
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20140104/9a2b374c/attachment.html>
More information about the users
mailing list