[Wien] Extraction data from bandstructure

Gerhard Fecher fecher at uni-mainz.de
Wed Jul 30 12:21:59 CEST 2008


check the case.spaghetti_ene files, there you find band by band all kx, ky, kz, k, and E values
of the k-path you defined for the calculation of the bands

Ciao
Gerhard
________________________________________
Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at zeus.theochem.tuwien.ac.at] im Auftrag von Dima Vingurt [dimavingurt at gmail.com]
Gesendet: Mittwoch, 30. Juli 2008 10:34
An: wien at zeus.theochem.tuwien.ac.at
Betreff: [Wien] Extraction data from bandstructure

Dear wien2k users,
Can somebody explain how to find E(k) dependence, i.e. E for different k in, let say, (100) direction in BZ from the output of spaghetti.
Thanks in advance.
D.Vingurt.


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