[Wien] GGA+U+SOC calculation

Subhasis Samanta subhasissamanta2 at gmail.com
Thu Jan 28 14:24:43 CET 2016


Dear all,

       I am using WIEN2k_14.1 version. I have *GGA+U* spin-polarized
calculation. For performing the spin-orbit calculation can I use  *runsp_lapw
-orb -so*  command ?. The main doubt is whether *-orb* switch is again
needed to be added or not when I have already the *GGA+U* ground state ?

-- 
best wishes

Subhasis
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20160128/4279939b/attachment.html>


More information about the Wien mailing list