Regarding your question 1) below, yes, it is necessary to add the -up
and -dn to the "x w2w -so" command as the Wien2Wannier 2.0 User’s Guide
says on page 5:
"Note: it does not make sense to run x w2w -so without either -up or -dn;"
Regarding your question 2) below, in the thread of posts for
Dear wien2k users and developer
I have a question regarding to wien2wannier with soc, but without sp.
I found the work flow in Wien2wannier user guide for spin-orbit coupling :
$ prepare_w2wdir W
$ init_w2w -up
...
> findbands -so -all -1 1 (13:30:56)
> write_inwf -f W (13:31:01)
...
>
2 matches
Mail list logo