[Wien] Questions in "initso_lapw" when using "runsp_c_lapw" to run my task

Peng Bingrui pengbingrui26 at outlook.com
Sat Jul 8 17:08:56 CEST 2017


Dear wien2k users


I have a question that I'd like to discuss with you.


My purpose is to use LDA+U to treat no-magnetic system. So I use "runsp_c_lapw -orb" to run my task, as told by the user_guide. And in "initso_lapw", it asks me "do you have a spinpolarized case ?" and "do you want to use the new structure for SO calculations ?". I answer "Yes" to both the two quetions. I'm not very sure whether what I do is right. I'd like to listen your experience and advices about this.


Thank you very much for your attention.


Bingrui Peng

from the Department of Physics,Nanjing University,China
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20170708/93208f60/attachment.html>


More information about the Wien mailing list