[Pw_forum] one error in pw.x when calculating graphene supercell
L.F.Huang (黄良锋)
lfhuang at theory.issp.ac.cn
Wed Jul 30 09:16:12 CEST 2008
Hi PWSCF developers:
Thanks for the kindly replies from Lorenzo Paulatto, S.J.Hashemifa, and
prof. Eyvaz Isaev. I finally found I had done the two jobs with different
energy cutoff.
Thanks a lot for your help!
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L.F.Huang(黄良锋) lfhuang at theory.issp.ac.cn
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Add:Research Laboratory for Computational Materials Sciences,
Instutue of Solid State Physics,the Chinese Academy of Sciences,
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Fax: 86-551-5591434
Web: http://theory.issp.ac.cn (website of our theory group)
http://www.issp.ac.cn (website of our institute)
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