[Wien] run SCF command to include SO in mBJ

saurabh samant saurabhsamant9 at gmail.com
Fri Nov 22 06:07:29 CET 2013


Dear WIEN2k authors & users,

I am doing spin-polarized GGA+SO+mbj calculations. After running GGA,
initializing and running SO, I initialized mBJ, run the single iteration,
saved lapw, initialized mBJ again, changed the mixing scheme. At the end,
to include SO in mBJ, should the command to run mBJ SCF calculation is
runsp_lapw -so. Plz confirm it.

Thanking you,
Yours sincerely,
Saurabh Samant
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