[Pw_forum] Band structure of Diamagnetic system

Paolo Giannozzi giannozz at democritos.it
Thu Jul 19 10:04:12 CEST 2012


On Wed, 2012-07-18 at 16:41 +0100, Abolore Musari wrote:

> shld l also include starting_magnetization in it for fe atom
> in the system namelist for fes2 diamagnetic semiconductor.

for diamagnnetic semiconductors, it is sufficient to perform
a calculation without spin polarization

P.
-- 
Paolo Giannozzi, IOM-Democritos and University of Udine, Italy





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