[Pw_forum] smearing

Duy Le ttduyle at gmail.com
Tue Mar 15 18:55:10 CET 2011


On Tue, Mar 15, 2011 at 1:46 PM, Iurii TIMROV
<iurii.timrov at polytechnique.edu> wrote:
>> Mind, that 'tetrahedra' has to be used for DOS or SCF only, forces and
>> stresses are
>> not reliable it this case (they are not variational).
>
> Could you recommend some paper where this statement was
> mentioned/discussed/proved? Thanks!
>
Should be in the original paper about this method, by Blöchl et al 1994
--------------------------------------------------
Duy Le
PhD Student
Department of Physics
University of Central Florida.

"Men don't need hand to do things"



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