[Pw_forum] GaAs bandstructure tutorial?
spiga.filippo at gmail.com
Tue Mar 11 13:17:21 CET 2014
On Mar 11, 2014, at 11:47 AM, Masakatsu ITO(伊藤) <m-ito at aist.go.jp> wrote:
> I've started using Quantum Espresso ver. 5.0.3
> (5.0.2 + patch), and am trying to calculate
> GaAs band structure. But I still don't get the right
> band structure.
from the input files you provided it seems you are using QE-GPU. The program itself is not entirely bug-free and I am personally work as much as I can to find any possible issue.
Did you try running using the standard CPU-only package?
Mr. Filippo SPIGA, M.Sc.
http://www.linkedin.com/in/filippospiga ~ skype: filippo.spiga
«Nobody will drive us out of Cantor's paradise.» ~ David Hilbert
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