[Pw_forum] Band structure calculations of a vc-relax run

Dae Kwang Jun jdaekwang at gmail.com
Tue Jul 12 09:20:19 CEST 2016


Dear all,

Is it possible to get the bandstructures with only the output of vc-relax
run? I tried to get the band structures of crystals after their vc-relax
calculations. I used the calculation = 'bands' and pp.x to. However, their
bandstructures look different from literature.

Sincerely,

Dae Kwang Jun
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20160712/1afa247b/attachment.html>


More information about the users mailing list