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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?<div><br></div><div><br></div><div>Thanks again<br><br><div><div id="SkyDrivePlaceholder"></div><hr id="stopSpelling">Date: Mon, 26 Mar 2012 00:37:24 -0400<br>From: bahadira@buffalo.edu<br>To: pw_forum@pwscf.org<br>Subject: Re: [Pw_forum] Input for lambda.x execution for el-ph coupling<br><br>
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<br>
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:<br>
<br>
bravais lattice >> {your bravis lattice no 1...14}<br>
filout [mesh_k] >> {just hit enter}<br>
<br>
then it will asks for some info (depends on your lattice), just
enter them<br>
.<br>
.<br>
.<br>
mesh: n1 n2 n3 >> {enter your q-grid in X X X format
"example: 8 8 8"}<br>
mesh: k1 k2 k3 (0 no shift, 1 shifted) >> enter 0 0 0 (no
shift for all direction)<br>
write all k? [f] >> {just hit enter}<br>
<br>
then read the file that code creates named mesh_k<br>
<br>
hope it works<br>
<br>
<br>
bahadir<br>
<br>
<br>
On 03/25/2012 09:10 PM, Elie M wrote:
<blockquote cite="mid:DUB110-W191B3B2D9FE0FC461B2123D3450@phx.gbl">
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Dear all,
<div><br>
</div>
<div>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</div>
<div><br>
</div>
<div><br>
</div>
<div>Regards</div>
<div><br>
</div>
<div>Elie Moudaes</div>
<div>University of Nottimgham</div>
<div>NG7 2RD</div>
<div>UK</div>
</div>
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<pre class="ecxmoz-signature">--
Dr.Bahadir Altintas
* Dept. of Chemistry
SUNY Buffalo
NY,USA
* Abant Izzet Baysal University
Dept. of Computer Education
Bolu,Turkey</pre>
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