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://www.democritos.it/pipermail/pw_forum/attachments/20100830/31730fbb/attachment.htm
