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am not clear what is the role of this
MULT. <span style="font-weight:bold">Equivalent
atoms mean here ?</span>. I would be
glad if you can ellaborate this term more.</div>
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Yes, that is what it means, and that is what it says in the Wien2k
13.1 usersguide on page 41 (pdf page 58)
[<a class="moz-txt-link-freetext" href="http://www.wien2k.at/reg_user/textbooks/usersguide.pdf">http://www.wien2k.at/reg_user/textbooks/usersguide.pdf</a>]:<br>
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multiplicity number of equivalent atoms of this kind<br>
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