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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