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

[Dae Kwang Jun]

Dear all,

I made a mistake in my input. I put crystal_sg in K_POINTS!
 i.e. K_POINTS {crystal_sg}.



On Tue, Jul 12, 2016 at 4:20 PM, Dae Kwang Jun <jdaekwang at gmail.com> wrote:

> 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/20160712/70fb65a7/attachment.html>