[DFTB-Plus-User] Up and down Spin Channels in band.out

Gautam Jha gautam.jha at mailbox.tu-dresden.de
Fri Mar 3 09:13:34 CET 2023


Hello,


I have a query regarding the band.out file, after running the Spin orbit coupling calculations the generated band.out file does not says anything about up or down spin channels. Is it possible to print the up and down information too?


I also looked at "dp_bands -s" option which can give band files for each channel but that script also relies on band.out (which has no mention of if its up or down)?


Kind Regards,

Gautam Jha

TU Dresden
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://mailman.zfn.uni-bremen.de/pipermail/dftb-plus-user/attachments/20230303/d8e60dfd/attachment.htm>


More information about the DFTB-Plus-User mailing list