[Pw_forum] Question on the calculation of MgB2 with distorted lattice.
giannozz at nest.sns.it
Tue Sep 13 09:48:34 CEST 2005
On Tuesday 13 September 2005 08:18, 张 洪彬 wrote:
> from Efermi: error #1
> unexpected error
please provide a test job
> Besides, using ABINIT I can get almost the same band structure
> with those reported. Please tell me why?
why should they be different ???
Paolo Giannozzi e-mail: giannozz at nest.sns.it
Scuola Normale Superiore Phone: +39/050-509876, Fax:-563513
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