[Pw_forum] DOS

[Paolo Giannozzi]

On Friday 30 July 2004 10:54, Dariusz Chrobak wrote:

> I would like to calculate DOS (with tetrahedra) projected on the atomic
> states

I think that in order to calculate the projected DOS with tetrahedra,
one has to implement the attached formulas. Presently PP/dost.f90
(flib/dost.f90 in the CVS version) implements the case F(k) = 1.

Paolo
-- 
Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
Piazza dei Cavalieri 7      I-56126 Pisa, Italy
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