[Wien] Getting Identical Band Structure for Spin Up and Down When Turn On SOC

[fabien.tran at vasp.at]

https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg06561.html
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg03239.html

On 06.09.2022 18:06, Xudong Huai wrote:
> Dear WIEN2k users,
> 
>  I am running a PBE+SP+SOC calculation on MnSi.
> 
>  The OS is Rocky Linux 8.6. WIEN2k was compiled with
> intel-oneapi-compilers 2022.1.0, the MPI version is intel-oneapi-mpi
> 2021.6.0, the math libraries are intel-oneapi-mkl 2022.1.0, fftw is
> 3.3.10.
> I want to get the spin-polarized band structures.
> 
> There is no error or abnormal running of the calculation, but the
> result shows identical band structures for spin-up and spin-down
> (while the density of states plots are different).
> 
> Is this a common problem? And how should we fix it?
> 
>  Looking forward to your reply in this regard.
> 
> Xudong Huai
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