[Pw_forum] example 01
barfi.koa at gmail.com
Mon Aug 30 21:14:20 CEST 2010
In example 01, there is an input file for calculating the band structure of
silicon that I ran it and drew the band structure successfully. But I can
not find any information about orbitals (1s, 2s, 2p, ...) in the output file
to ascribe them to the bands. How can I find the atomic orbital or molecular
orbital origin of each band by Quantum Espresso.
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