ABINIT Discussion Forums

Hello everyone,

I would like to wannierize a system with SOC in the latest 8.0.7 version.
However, there is always an error message:

--- !ERROR
src_file: mlwfovlp_qp.F90
src_line: 166
mpi_rank: 0
message: |
nspinor==2 not implemented
...

Similar problem appears in 7.10.5. Is there anyway to solve this problem?

Thanks!
--
Shu-Ting Pi
University of California, Irvine

There's been some work to interface Abinit8.0.7 with Wannier2 but non-collinear magnetism
(nspinor = 2, required for SOC calculations) is not supported yet in this part of the code.