[Wien] How to set the occupation number in Wien2k?

[Bin Shao]

The qtl lines for spin up is

:QTL013: 1.0036 2.8012 0.2016 6.8976 0.9330 0.9328 0.9340 0.0384 0.0388
0.0388 0.0436 0.0436
        Q-s-low E-s-low   Q-p-low E-p-low   Q-d-low E-d-low   Q-f-low
E-f-low

There is 7 f electrons. Why the occupation number in dmat files is less
than 7 (about 4)?

The calculation got a magnetic solution with 7 muB and the dmat was from a
GGA+SOC.

"I usually use the magnetic field only together with l=0."

what's the meaning of l? the quantum number of angular moment?


-- 
Bin Shao
Postdoc
Department of Physics, Tsinghua University
Beijing 100084, P. R. China
Email: binshao1118 at gmail.com
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