you should use irrep,
see the manual for details and restrictions
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."
Dr. Gerh
Dear WIEN2k users,
When calculate band structure, I find that the bands form fake avoided
crossings. How can I fix those fake avoided crossings?
For example, Fig 1 shows the calculated band structure for MgO from X
to Gamma to X. The plot are made from the data in case.energy (or
case.spaghetti
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