[Pw_forum] Kponts generation from kpoint.x

[vtmtrinh at caltech.edu]

I am sorry.  I had a mistake in the previous email.  I meant "inverse
symmetry."

Trinh

Dear Pwscf,
>
> I run a nscf calculation with k-point grid of 12x12x12 (automatic).  From
> the output of pw.x, I saw 163 kpoints were generated and computed.  Since
> I would like to get the whole 3D-band structure, I run kpoint.x to get
> other kpoints.  A number of kpoints generated by pw.x (for the nscf
> calcultion) could be found te coincide with those generated by kpoint.x.
> However, there many kpoints generated by pw.x could not found in the
> output of kpoint.x.  I am not sure about the reason why there is the
> difference here: Is it due to reverse symmetry or something else?   I
> appreciate very much if you could tell me why.
>
> Best,
>
> Trinh Vo
>
> JPL/CalTech
>
>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
>