Dear Masa, On Mar 11, 2014, at 11:47 AM, Masakatsu ITO(??) <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? Cheers, F -- 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 ***** Disclaimer: "Please note this message and any attachments are CONFIDENTIAL and may be privileged or otherwise protected from disclosure. The contents are not to be disclosed to anyone other than the addressee. Unauthorized recipients are requested to preserve this confidentiality and to advise the sender immediately of any error in transmission."
