Thanks very much for your response. So if I understood correctly, the points
used for the el-ph calculations (obtained from ph.x) in my case 10 x 10x 1 (14
q points) are the ones to be used in the lambda.in file right? what about the
weight of each point? do we need to give them in the input and how to calculate
them?
Thanks again
Date: Mon, 26 Mar 2012 00:37:24 -0400
From: bahad...@buffalo.edu
To: pw_forum at pwscf.org
Subject: Re: [Pw_forum] Input for lambda.x execution for el-ph coupling
if you know the q-grid that you used in elphon calculation, you can
just use kpoint.x and give the information about system as follow:
bravais lattice >> {your bravis lattice no 1...14}
filout [mesh_k] >> {just hit enter}
then it will asks for some info (depends on your lattice), just
enter them
.
.
.
mesh: n1 n2 n3 >> {enter your q-grid in X X X format
"example: 8 8 8"}
mesh: k1 k2 k3 (0 no shift, 1 shifted) >> enter 0 0 0 (no
shift for all direction)
write all k? [f] >> {just hit enter}
then read the file that code creates named mesh_k
hope it works
bahadir
On 03/25/2012 09:10 PM, Elie M wrote:
Dear all,
I want to use the lambda.x executable (within the el-ph
interaction package) to calculate the el-ph coefficient lambda
and also Tc. I have read the input in example07 but have not
quite understood how to produce the points in the input file
(it states using kpoints.x) but still a bit vague for me..Any
clarification regarding this issue would be appreciated.
Thanks
Regards
Elie Moudaes
University of Nottimgham
NG7 2RD
UK
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--
Dr.Bahadir Altintas
* Dept. of Chemistry
SUNY Buffalo
NY,USA
* Abant Izzet Baysal University
Dept. of Computer Education
Bolu,Turkey
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