Hi Gary,

You can run x lapwso -up (for spin polarized soc) before lapw2.

Thanks,

Jianxin

From: Wien <wien-boun...@zeus.theochem.tuwien.ac.at> on behalf of Gary Amini 
<aminig...@gmail.com>
Reply-To: A Mailing list for WIEN2k users <Wien@zeus.theochem.tuwien.ac.at>
Date: Friday, May 17, 2024 at 8:16 AM
To: A Mailing list for WIEN2k users <Wien@zeus.theochem.tuwien.ac.at>
Subject: [EXTERNAL] [Wien] DOS with SOC

Dear all,

When calculating DOS with SOC, is it correct to do

x lapw2 -so -up -qtl
x lapw2 -so -dn -qtl

x tetra -up -so
x tetra -dn -so

or should we run lapwso also?

Best,
Gary
_______________________________________________
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html

Reply via email to