[Pw_forum] Input for lambda.x execution for el-ph coupling
bahadir
bahadira at buffalo.edu
Mon Mar 26 06:37:24 CEST 2012
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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> Pw_forum at pwscf.org
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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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