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<p>Hi,</p>
<p>Which functional are you using? If you are using DFT+U, then "xcrysden --wien_fermisurface" does not work by only clicking the buttons.</p>
<p>With DFT+U, you need to calculate the eigenvalues in the terminal with -orb [x lapw1 -up/dn -orb].</p>
<p>xcrysden does not provide a way to add -orb.<br>
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<p>Another problem may be due to the k-mesh (but I doubt it is the case): maybe the k-mesh for band/DOS is too coarse to catch k-points where the bands cross the Fermi energy.<br>
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<p>F. Tran<br>
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<div id="divRplyFwdMsg" dir="ltr"><font style="font-size:11pt" face="Calibri, sans-serif" color="#000000"><b>From:</b> Wien <wien-bounces@zeus.theochem.tuwien.ac.at> on behalf of delamora <delamora@unam.mx><br>
<b>Sent:</b> Monday, March 2, 2020 5:26 PM<br>
<b>To:</b> A Mailing list for WIEN2k users<br>
<b>Subject:</b> [Wien] Half metal, Fermi surfaces</font>
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Dear Wien2k community,</div>
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I have a half metal system, a dn spin gap can be seen in the bands and DOS, but when the Fermi surfaces are calculated there are some Fermi surfaces both, up and dn, directions</div>
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<br>
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Cheers</div>
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Pablo<br>
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