[Pw_forum] Full k-points in Brillouin Zone (turning-off all symmetries)

Ryky Nelson nelson.ryky at gmail.com
Tue Apr 19 17:20:22 CEST 2016


Hi Mostafa,

I tried using only nosym=.TRUE. but it still doesn't give me a full number
of k-points (at least for non-spin-polarized cases). I'm guessing (cmiiw)
that's probably because it doesn't include turning-off the time-reversal
symmetry that's why we still need noinv=.TRUE. which according the manual
will disable the time-reversal symmetry.

Ryky Nelson
Institut für Anorganische Chemi
RWTH Aachen University


On Tue, Apr 19, 2016 at 4:40 PM, Mostafa Youssef <myoussef at mit.edu> wrote:

> Dear Lorenzo and Ryky,
>
>
> Just out of curiosity does nosym=.TRUE. already implies  noinv=.TRUE. ?  I
> thought the former is enough to turn off all  kinds of symmetries.
>
>
>
>
> Thank you,
> Mostafa  Youssef
> MIT
>
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