[Pw_forum] wrong graphite band structure

Paolo Giannozzi giannozz at democritos.it
Fri Jun 19 11:36:40 CEST 2009


潘登 wrote:

>     Thanks for your respond, I have checked the units and I change the 
> input to "celldm(1)=4.6189", but the band structure still seems wrong.

why?
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy



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