Dear All,

From the forum, I came to know that wannier90 v2.0 and higher versions are only built up with spin-orbit coupling.

I have compiled Wannier90 (v2.1.0) with VASP. for doing Spin-Orbit Coupling calculations. But I am stacked, the calculations are not running when I am setting LWANNIER90 = .TRUE. in INCAR.

I have seen VASP wiki and it states that "At present the VASP2WANNIER90 interface works with WANNIER90 v1.2, not with WANNIER90 v2.0 (yet)".

I have also gone through the following link and modified the wannier_lib.F90 file accordingly. But still Spin-Orbit Coupling part is not working.

http://cms.mpi.univie.ac.at/vasp-forum/viewtopic.php?f=3&t=14026&p=14353&hilit=wannier90#p14353

If anybody wants, I can attach the error file too.

I am completely stacked. Can you guys please help me to sort out this ??

I will be really grateful to you people, if you guys can share your knowledge on this fact.

Best Regards

Chiranjit

More Chiranjit Mondal's questions See All
Similar questions and discussions