Dear professor Blaha and WIEN2K users
I'm running WIEN2K of 14 version on Linux system. I'm going to impose external magnetic field on LaPtBi, a no-magnetic material. The procedure that I'm going to use is : 1、Do a no-SO calculation : runsp_c_lapw. 2、Do a SO calculation : runsp_c_lapw -so -orb, while including external magnetic field as orbital potential in the same time. My questions are: 1、Whether this procedure is OK ? If it is not OK, what is the right one ? 2、Which atoms and which orbitals should I treat with orbital potential ? The electron configurations of these 3 atoms are: La (5d1 6s2) ; Pt (4f14 5d9 6s1); Bi (4f14 5d10 6s2 6p3). Thanks very much for your attention. Sincerely yours, Bingrui Peng from the Department of Physics, Nanjing University, China
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