Re: [Wien] initial projections with spin-orbit coupling for wien2wannier?

2015-05-08 Thread Elias Assmann
On 05/07/2015 04:25 PM, Xu Wenhu wrote: --- !!! Dummy `projections' block for guiding centers !!! ! guiding_centres = .true. begin projections 1:s 1:s ... end projections

Re: [Wien] initial projections with spin-orbit coupling for wien2wannier?

2015-05-07 Thread Xu Wenhu
Dear Elias, Thank you very much! I have one more question about the projection part in 'case.win'. There is the following block in 'case.win': --- !!! Dummy `projections' block for guiding centers !!! ! guiding_centres = .true.

Re: [Wien] initial projections with spin-orbit coupling for wien2wannier?

2015-05-07 Thread Elias Assmann
Dear Wenhu Xu, SOC is one of those areas that are less well explored with wien2wannier, so please take everything I say with a grain of salt. On 05/06/2015 07:34 PM, Xu Wenhu wrote: 1. Is it possible to mix spin-up and -dn components in the 'case.inwf' file to have the Jeff=1/2 orbitals as the