[Pw_forum] DOS

Paolo Giannozzi giannozz at nest.sns.it
Mon Aug 2 18:35:02 CEST 2004

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 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
-------------- next part --------------
A non-text attachment was scrubbed...
Name: tetra.tex
Type: text/x-tex
Size: 4135 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20040802/79e35726/attachment.bin>

More information about the users mailing list