[Wien] SO+U

[pieper]

The most basic thing you want to do is read the User Guide.

Especially sections on SO and orbital potentials (in my Wien2k 12.1 
version sec. 4.5.5, 5.2.17 on initso_lapw, sec. 7.2 on orb, sec. 7.4 on 
lapxwo, sec. 7.7 on lapwdm, the example fcc-Ni, sections 8.1, 8.2 on 
tetra and qtl to plot the DOS).

The steps you should take are explained in quite some detail there: 
converge your case spin-polarized; save; initialize SO; converge with 
SO; save; switch on U; converge and save; do what you have to do 
generate the DOS.

Personally I am a fan of w2web - it helps to avoid mistakes with the 
numerous program options.

Good luck, Martin



Am 28.07.2014 23:55, schrieb Tuan Vu:
> Hi WIen2k
> I want use SO+U . but i dont know what first need do and step after ,
> i can you tell me how i can. and how to plot DOS with SO+U
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