[Pw_forum] problem with k-points

Paolo Giannozzi giannozz at nest.sns.it
Mon Dec 11 11:41:42 CET 2006


On Dec 10, 2006, at 17:20 , Sanjeev Kumar Gupta wrote:
> sorry, for again same question, what is significance of negative  
> fermi energy is any relation in other calculation.

same question, same answer: the absolute value of the Fermi energy
is arbitrary in an extended system with periodic boundary conditions
(i.e. an infinite crystal), because the value of the G=0 component of
the potential is arbitrary

Paolo
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Paolo Giannozzi, Democritos and University of Udine, Italy





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