[Wien] HELP Kparallel projected DOS
Coriolan TIUSAN
tiusan at lpm.u-nancy.fr
Mon Dec 15 14:30:52 CET 2003
Dear Wien users,
After performing a SCF calculation, I would like to calculate k parallel
resolved DOS (using the wien code).
More precisely, I would like to calculate the DOS projected over the 2D BZ
(for a given point (kx,ky), 'integration' only over kz.
As I could understand, the TETRA program calculates the integrated DOS by
means of the tetraedron method.
Did anybody already done this kind of calculation?
Which procedure should I follow ater calculating the partial charges?
Thanks,
Coriolan TIUSAN
_____________________________________________________________
Dr. Coriolan-Viorel TIUSAN
Chargé de Recherches CNRS
Laboratoire de Physique des Materiaux - UMR CNRS 7556
Université H. Poincaré - Nancy 1, Faculté des Sciences
Boulevard des Aiguillettes
B.P. 239
54506 VANDOEUVRE LES NANCY Cedex FRANCE
E-mail: tiusan at lpm.u-nancy.fr
Tél:+33(0)3.83.68.48.18
Fax:+33(0)3.83.68.48.01
_____________________________________________________________
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