[Wien] How to make case.klist_band

wangguo wangguottkl at eyou.com
Sun Apr 18 15:53:42 CEST 2004


Dear,
I am trying to calculate the band structure of some materials.
But only fcc.klist hcp.klist and simple_cubic.klist can be found in
SRC_templates.
How can I make such klist for other space groups, such as 14_P21/c, 62_Pnma?
Further more, what does the figure mean in the klist?

W            40   20    0   40  2.0-0.5 1.5       Template for fcc structure

Thank You Very Much For Your Replying!





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