[Pw_forum] example 01
barfi koa
barfi.koa at gmail.com
Mon Aug 30 21:14:20 CEST 2010
Dear Users
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.
Truly Yours
Koa
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20100830/31730fbb/attachment.html>
More information about the users
mailing list