Re: [Wien] wien2wannier with SOC but without sp

2018-01-02 Thread Gavin Abo
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

[Wien] wien2wannier with SOC but without sp

2018-01-02 Thread Sahra Sahraii
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) ... >