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<p>Dear professor Blaha and WIEN2K users</p>
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<p>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 : </p>
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<p>1¡¢Do a no-SO calculation : runsp_c_lapw.</p>
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<p>2¡¢Do a SO calculation : runsp_c_lapw -so -orb, while including external magnetic field as orbital potential in the same time.</p>
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<p>My questions are:</p>
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<p>1¡¢Whether this procedure is OK ? If it is not OK, what is the right one ? </p>
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<p>2¡¢Which atoms and which orbitals should I treat with orbital potential ? The electron configurations of these 3 atoms are: <span style="font-size: 12pt;">La (<span style="font-family: sans-serif; font-size: 12.32px; line-height: 18.48px; background-color: rgb(248, 249, 250);">5d</span><sup style="line-height: 1; font-size: 12px; font-family: sans-serif; background-color: rgb(248, 249, 250);">1</sup><span style="font-family: sans-serif; font-size: 12.32px; line-height: 18.48px; background-color: rgb(248, 249, 250);"> 6s</span><sup style="line-height: 1; font-size: 12px; font-family: sans-serif; background-color: rgb(248, 249, 250);">2</sup>)
; Pt (<span style="font-family: sans-serif; font-size: 12.32px; line-height: 18.48px; background-color: rgb(248, 249, 250);">4f</span><sup style="line-height: 1; font-size: 12px; font-family: sans-serif; background-color: rgb(248, 249, 250);">14</sup><span style="font-family: sans-serif; font-size: 12.32px; line-height: 18.48px; background-color: rgb(248, 249, 250);"> 5d</span><sup style="line-height: 1; font-size: 12px; font-family: sans-serif; background-color: rgb(248, 249, 250);">9</sup><span style="font-family: sans-serif; font-size: 12.32px; line-height: 18.48px; background-color: rgb(248, 249, 250);"> 6s</span><sup style="line-height: 1; font-size: 12px; font-family: sans-serif; background-color: rgb(248, 249, 250);">1</sup>);
Bi (<span style="font-family: sans-serif; font-size: 12.32px; line-height: 18.48px; background-color: rgb(248, 249, 250);">4f</span><sup style="line-height: 1; font-size: 12px; font-family: sans-serif; background-color: rgb(248, 249, 250);">14</sup><span style="font-family: sans-serif; font-size: 12.32px; line-height: 18.48px; background-color: rgb(248, 249, 250);"> 5d</span><sup style="line-height: 1; font-size: 12px; font-family: sans-serif; background-color: rgb(248, 249, 250);">10</sup><span style="font-family: sans-serif; font-size: 12.32px; line-height: 18.48px; background-color: rgb(248, 249, 250);"> 6s</span><sup style="line-height: 1; font-size: 12px; font-family: sans-serif; background-color: rgb(248, 249, 250);">2</sup><span style="font-family: sans-serif; font-size: 12.32px; line-height: 18.48px; background-color: rgb(248, 249, 250);"> 6p</span><sup style="line-height: 1; font-size: 12px; font-family: sans-serif; background-color: rgb(248, 249, 250);">3</sup>).</span></p>
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<p><span style="font-size: 12pt;">Thanks very much </span><span style="font-size: 12pt;">for your attention.</span><br>
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<p>Sincerely yours,</p>
<p>Bingrui Peng</p>
<p>from the Department of Physics, Nanjing University, China</p>
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