[Pw_forum] Band structure
lfhuang at theory.issp.ac.cn
Wed Dec 31 08:49:41 CET 2008
If you are new PWSCF user, why don't you read the userguide, inputfile documents, some useful tutorials
in the QE website and the subscripts in the examples, before you make your poster?
The calculation mainly includes:
(1) scf calculation; pw.x
(2) nscf calculation with path given; pw.x
(3) collect band results for plotting; bands.x
(4) finally please execute plotband.x
Please refer to the sources I mentioned for details, and it won't hard.
> 1. Band structure (sezginaydin at gazi.edu.tr)
> Date: Wed, 31 Dec 2008 05:47:40 -0000
> Subject: [Pw_forum] Band structure
> I am a new PWScf user.I did install espresso-4.0.1 to my computer successfully.
> I did run the example01. How can I draw band structure or which program should
> I use?
> Res.Ass.Sezgin AYDIN
> Department of Physics
> Gazi Unv.,TURKEY
L.F.Huang(黄良锋) lfhuang at theory.issp.ac.cn
Add: Research Laboratory for Computational Materials Sciences,
Instutue of Solid State Physics,the Chinese Academy of Sciences,
P.O.Box 1129, Hefei 230031, P.R.China
Web: http://theory.issp.ac.cn (website of our theory group)
http://www.issp.ac.cn (website of our institute)
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