<html><body><div id="edo-message"><div></div>Thank you for your attention, got it.</div><div id="edo-meta"></div><div id="edo-original"><div><br><br><blockquote type="cite" style="margin:1ex 0 0 0;border-left:1px #ccc solid;padding-left:0.5ex;"><div>On Jul 12, 2019 at 22:37, <<a href="mailto:pblaha@theochem.tuwien.ac.at">Peter Blaha</a>> wrote:<br><br></div><div><pre>There is no such information.
<br>
<br>What you can do is switching off selectively the SO contribution for
<br>individual atoms. When you then compare your anisotropy energies, you
<br>can find out the contributions from different atoms.
<br>
<br>PS: In most cases it is trivial due to the heavy atom ...., when you
<br>have several heavier atoms, then such an analysis might make sense.
<br>
<br>On 7/5/19 7:48 AM, Tuvshin D wrote:
<br>> Dear Users, after spin orbit calculation of MCA is finished, where can I
<br>> get orbital contribution matrix to see which atoms of the system gives
<br>> most of anisotropic energy.
<br>>
<br>> Best, T.
<br>>
<br>>
<br>>
<br>>
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<br>>
<br>
<br>--
<br>
<br> P.Blaha
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<br></pre></div></blockquote></div></div></body></html>