[Pw_forum] generating k point weights

[Stefano Baroni]

YOU have written the answer to your question
"If .true. the bands are classified according to the irreducible  
representations of the small group of k" (which is the only sensible  
thing to do)

Stefano Baroni - SISSA Trieste

---
swift text written and sent on the go

On 11/ago/2009, at 04.02, xirainbow <nkxirainbow at gmail.com> wrote:

> Dear Stefano Baroni and Gabriele Sclauzero:
>
> First of all, thank you very much for your detailed explanation :）
> I think I fully undertand it.
> First, the "kpoints.x" reduces the number of k-points according to  
> parameter "ibrav". That means kpoints.x chooses the symmetry among   
> 14 Bravais lattices.
> Second, the "pw.x" checkes all symmetry operations within a given  
> Bravais lattice determined by kpoints.x.  That means pw.x determines  
> the symmetry among  7 crystal systems.
>
> But, now I have a another question about bands.x.
> In the instruction of  bands.x, it says:
> Presently it can calculate:
>    (a) The expectation value of the spin operator on each spinor  
> wave-function.
>    (b) The symmetry properties of each wavefunction.
> The instruction of parameter "lsym" says:
> If .true. the bands are classified according to the irreducible  
> representations of the small group of k. A file "filband".rap with  
> the same format of "filband" is written.
>
> I want to know the symmetry properties obatained by "band.x" is  
> based on 7 crystal systems, 14 Bravais lattices or 32 point groups.
>
> Once again, thank you very much ：）
>
> ____________________________________
> Hui Wang
> School of physics, Nankai University, Tianjin, China
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