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: binshao1...@gmail.com
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