[QE-users] alpha^2F (w) and lambda (w)

[Elio Physics]

Yes they are. For example,

a 12x12x1 grid used for ph.x generates 43 q points whereas  the kpoints.x will generate 144 points for a  12x12x1. But in this case how can I define the set of points needed for the lambda.x  input file?


Regards


________________________________
From: users <users-bounces at lists.quantum-espresso.org> on behalf of Mitsuaki Kawamura <mkawamura at issp.u-tokyo.ac.jp>
Sent: Thursday, May 31, 2018 4:54 AM
To: 'Quantum Espresso users Forum'
Subject: Re: [QE-users] alpha^2F (w) and lambda (w)

Dear Elio

Are the q points generated by the ph.x and kpoints.x different even when you
use the same grid index ?
If so, kpoints.x cannot be used.

Best regards,
Mitsuaki Kawamura

From: users <users-bounces at lists.quantum-espresso.org> On Behalf Of Elio
Physics
Sent: Tuesday, May 29, 2018 10:02 PM
To: Quantum Espresso users Forum <users at lists.quantum-espresso.org>
Subject: Re: [QE-users] alpha^2F (w) and lambda (w)

Dear Mitsuaki,

Thanks for your reply.  I just want to add more question regards the points
produced by kpoints.x needed for the lambda.x execution. I have some q grids
that have 7, 13 ,21 or even 43 points . How can I produce 7, 13, 21 and 43
points using kpoints.x ? Is it legitimate to say , in the case of 7, produce
9 points and take off two of them?

Once again, thanks in advance.


________________________________________
From: users <mailto:users-bounces at lists.quantum-espresso.org> on behalf of
Mitsuaki Kawamura <mailto:mkawamura at issp.u-tokyo.ac.jp>
Sent: Tuesday, May 29, 2018 12:19 AM
To: 'Quantum Espresso users Forum'
Subject: Re: [QE-users] alpha^2F (w) and lambda (w)

Dear Elio

Hello,
1- lambda(w) (The integration of alpha2F) is not computed in matdyn.x.
Please integrate alpha2F(w) manually.

2- To plot it with gnuplot, you have to modify that file as each frequency
has single line.
For plotting it with gnuplot, you have to modify that file to write each
frequency in a single line.
That file format will be changed in the next release.

Best regards,
Mitsuaki Kawamura

--
------------------------------------------------------
Dr. Mitsuaki Kawamura
Ozaki Laboratory
The Institute for Solid State Physics, Kashiwa, Japan
e-mail : mailto:mkawamura at issp.u-tokyo.ac.jp
------------------------------------------------------

From: users <mailto:users-bounces at lists.quantum-espresso.org> On Behalf Of
Elio
Physics
Sent: Monday, May 28, 2018 9:19 AM
To: Quantum Espresso users Forum <mailto:users at lists.quantum-espresso.org>
Subject: [QE-users] alpha^2F (w) and lambda (w)

Dear all, I am trying to plot The Eliashberg function and the electron
phonon parameter in terms of the frequencies. I know that matdyn.x produces
these two files and that alpha^2F data is found in a2FDos.X files .

1- Where can I find the lambda (w) information?

2- How can I plot these graphs? The file is not suitable to be plot in
gnuplot.

Any help would be appreciated. Thanks

Elio
IFRO
Brazil


_______________________________________________
users mailing list
mailto:users at lists.quantum-espresso.org
https://lists.quantum-espresso.org/mailman/listinfo/users
https://lists.quantum-espresso.org/mailman/listinfo/users
lists.quantum-espresso.org
Your email address: Your name (optional): You may enter a privacy password
below. This provides only mild security, but should prevent others from
messing with your subscription.


_______________________________________________
users mailing list
users at lists.quantum-espresso.org
https://lists.quantum-espresso.org/mailman/listinfo/users
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20180531/08853ffd/attachment.html>