[Pw_forum] degauss in DOS calculation.

Paolo Giannozzi giannozz at democritos.it
Tue Jan 19 11:29:33 CET 2010


On Jan 19, 2010, at 7:27 , Jiayu Dai wrote:

> Thanks a lot. The figures of DOS using huge smearing is very  
> different.

if you use a huge smearing, you get a hugely smeared DOS

> So, i do not think we can use the "tetrahedra" method to calculate  
> the DOS
> now.

why not?

P.
---
Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222






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