[Pw_forum] Question on the calculation of MgB2 with distorted lattice.

Paolo Giannozzi 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 
Piazza dei Cavalieri 7      I-56126 Pisa, Italy

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