<html><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:12pt"><div>Dear users of WIEN2k,</div><div>I have started using wien2k and it works fine in non magnetic case but i m interesting in magnetic case and i dont know what i should do, can someone help me please.<br></div><div>I want to do the calculation of spinpolarized with LSDA+U, i would appreciate if someone can help me telling me what i should do in some steps, like in the first step </div><div>what i should choose here: <br></div><div style="margin-bottom:0cm;">CREATE A NEW .inst FILE with PROPER
ATOMS</div>
<div style="margin-bottom:0cm;"> Eventually specify switches for
instgen_lapw (or press ENTER):
</div>
<div style="margin-bottom:0cm;"> -up (default) -dn -nm
(non-magnetic) -ask<br><br>How can i know if i m using LSDA or LSDA+U in this step or there is another step where i will know it:<br><div style="margin-bottom:0cm;">lstart (20:40:42) SELECT XCPOT:</div>
<div style="margin-bottom:0cm;"> recommended: 13: PBE-GGA
(Perdew-Burke-Ernzerhof 96)</div>
<div style="margin-bottom:0cm;"> 5: LSDA</div>
<div style="margin-bottom:0cm;"> 11: WC-GGA (Wu-Cohen
2006)</div>
<div style="margin-bottom:0cm;"> 19: PBEsol-GGA (Perdew
etal. 2008)<br><br>Thanks in advance for your response.<br>Mohamed Ouaissa<br><br><br></div><br><br></div><div><br></div><div style="color: rgb(0, 0, 0); font-size: 16px; font-family: times new roman,new york,times,serif; background-color: transparent; font-style: normal;"><br></div></div></body></html>