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<p>If this is rho_up-rho_down that you want to integrate, then this is the spin magnetic moment.<br>
</p>
<p>When a calculation is finished, the integral of spin magnetic moment is printed in case.scf.<br>
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<p>:MMTOT is for the unit cell<br>
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<p>:MMI001, :MMI002, etc. are for the atomic spheres<br>
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<p>:MMINT is in the interstitial region<br>
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<div id="divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" color="#000000" style="font-size:11pt"><b>From:</b> Wien <wien-bounces@zeus.theochem.tuwien.ac.at> on behalf of pachineela rambabu <rams.hcu@gmail.com><br>
<b>Sent:</b> Saturday, April 18, 2020 3:21 PM<br>
<b>To:</b> A Mailing list for WIEN2k users<br>
<b>Subject:</b> Re: [Wien] Spin densities in up and down cases</font>
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<div dir="auto">Dear Tran, thank you very much for the reply. I want to find the spin densities difference and integrate the difference up to difference less than zero.
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<div dir="auto">thanks,</div>
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<div dir="ltr" class="gmail_attr">On Sat, Apr 18, 2020, 18:47 Tran, Fabien <<a href="mailto:fabien.tran@tuwien.ac.at">fabien.tran@tuwien.ac.at</a>> wrote:<br>
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<p>The files case.clmup and case.clmdn contain the up and down electron densities.<br>
</p>
<p>But without knowing what you want to do, we can not help you more.<br>
</p>
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<div id="m_2748788362808166686divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" color="#000000" style="font-size:11pt"><b>From:</b> Wien <<a href="mailto:wien-bounces@zeus.theochem.tuwien.ac.at" target="_blank" rel="noreferrer">wien-bounces@zeus.theochem.tuwien.ac.at</a>>
on behalf of pachineela rambabu <<a href="mailto:rams.hcu@gmail.com" target="_blank" rel="noreferrer">rams.hcu@gmail.com</a>><br>
<b>Sent:</b> Saturday, April 18, 2020 3:02 PM<br>
<b>To:</b> A Mailing list for WIEN2k users<br>
<b>Subject:</b> [Wien] Spin densities in up and down cases</font>
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<div dir="auto">Dear wien2k,
<div dir="auto"> I want to get spin up and down density files from wien2k. How to get them.</div>
<div dir="auto"><br>
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<div dir="auto">Thanks,</div>
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