[Pw_forum] examples 01 & 05 and finding orbitals
barfi koa
barfi.koa at gmail.com
Sat Sep 4 12:04:43 CEST 2010
Dear PWScf Users
In example 01 and 05, there are some input files for calculating the band
structure of silicon that I ran them and drew the band structure
successfully. But I can not find any information about orbitals (1s, 2s, 2p,
...) in the output files to ascribe them to the bands. How can I find the
atomic orbital or molecular orbital origin of each bands by Quantum
Espresso. Many Thanks
Truly Yours
Koa
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