Hi,
This is already fixed in a coming release. :)
You can't get out the wavefunction coefficients in the code (without adding
code).
If you want it you can use sisl https://github.com/zerothi/sisl
to extract the information and post-calculate the eigenvalues again.
Den søn. 3. maj 2020 kl.
Hi,
Den søn. 3. maj 2020 kl. 22.03 skrev El-abed Haidar <
ehai2...@uni.sydney.edu.au>:
> Thank you for the compliment Nick,
> I was seeking an answer from yourself on why does the k points change from
> 100 to 1 in tbtrans.
> The answer seems to be in the physics where the system is not being
>
The capability to process non-collinear and spin-orbit wave-functions has been
implemented already, and it will appear in a formal release soon. If you
desire, you can download a snapshot of the current code of the 4.1 series from
https://gitlab.com/siesta-project/siesta/tree/rel-4.1
(Click
