[Pw_forum] About band plot

Paolo Giannozzi giannozz at democritos.it
Thu Apr 28 17:34:06 CEST 2011


On Apr 28, 2011, at 6:34 , Padmaja Patnaik wrote:

> the code doesn't mention the high symmetry points
> Gamma, K, L etc. along the X axis. How to do that?

with group theory: see item 12.4.0.3 in
http://www.quantum-espresso.org/user_guide/node61.html

P.
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Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222






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