[Wien] Strucutre Optimization with SO and GGA+U

[Jifeng Sun]

Dear All,

I was working on a heavy material BaPm2O4. I am wondering about the standard procedure in 
doing structure optimization (both internal and external) with SO and U. I've been trying 
to look up some info. on the forum but still don't quite get it. Do I need to use init_so 
before doing 'x optimize'? Is that possible to do force minimization with SO?? Thanks!

Best,
Jifeng   

--
Jifeng Sun

Graduate Research Assistant
National High Magnetic Field Laboratory
Condensed Matter Science
Chemical & Biomedical Engineering 
FAMU-FSU College of Engineering
Florida State University
sun at magnet.fsu.edu