[Wien] band structure

[Gerhard Fecher]

what do you mean with "I don't get correct results" ?

Ciao
Gerhard

DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy:
"I think the problem, to be quite honest with you,
is that you have never actually known what the question is."

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Dr. Gerhard H. Fecher
Institut of Inorganic and Analytical Chemistry
Johannes Gutenberg - University
55099 Mainz
________________________________________
Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at zeus.theochem.tuwien.ac.at]" im Auftrag von "Saba Sabeti [raskolnikof6028 at yahoo.com]
Gesendet: Freitag, 3. Februar 2012 22:37
An: wien at zeus.theochem.tuwien.ac.at
Betreff: [Wien] band structure

Dear all users,
I'm calculating the band structure of some topological half heuslers. All of the calculations run without any error, however I found wrong result on my band structure. If somebody helps me to correct them, I would be so thankful.
First of all, in spite of seeing the essential band inversion, the gamma7 is not drawn!
In addition, when I insert SO interaction(without spin polarization),in the absence of any error, I don't get correct results; and when I insert SO (with spin polarization),there's some errors in lapw2!
I want to know if I should insert any change or further information in "band structure" step or not. Or it may be because of some wrong information in initso_lapw step?
thank you so much in advance