[Wien] QTLB error in SOC+U calculation

[Gavin Abo]

I see no issue.  SO mixes the spin up and down together [ 
http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg03696.html 
], such that case.energysoup and case.energysodn are the same [ 
http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg09685.html 
].  I remember reading that this was done to preserve the program logic 
[ 
http://zeus.theochem.tuwien.ac.at/pipermail/wien/2006-January/006552.html ].

On 1/14/2016 11:52 AM, Muhammad Sajjad wrote:
> Dear Prof. Balah
> I followed the instructions:
> 1. run normal scf. It was spin-polarized case and I found different 
> scf.energyup and scf.energydn.
> 2. initso
> 3. runsp -so
> It is done but when I checked the difference of scf.energysoup and 
> scf.energysodn there is no difference. May I know the issue?