No subject

>output, it can be seen you did a  non-spin-polarized calculation
(which <br>
&gt;is wrong!), then both eigenvalues are doubly occupied, and you do
have <br>
&gt;indeed 2s^2 2p^2, with the 2p eigenvalue equal to the Fermi energy.<br>
  <br>
&gt;The FAQ clearly mentions that free atom calculations should be done
  <br>
&gt;spin-polarized (you will see this will lower the energy compared to
your <br>
&gt;non-spin-polarized :ENE).<br>
  <br>
&gt;Stefaan<br>
  <br>
I have used for nonmagnetic isolated atom of C the&nbsp;spin polarized
calculations&nbsp;(in agreement with your recommendations and&nbsp;&nbsp;FAQ) , </div>
  <div>and of course now I have magnetic moment of the nonmagnetic
atom!!! </div>
  <div>&nbsp;</div>
  <div>From band structure I&nbsp;can be seen that for spin up and for spin
down there is different energy flat&nbsp;levels for 2s and 2p, that is
properties of magnetic materials. </div>
  <div>&nbsp;</div>
  <div>Could you please say what do&nbsp;you think&nbsp;about&nbsp;this?</div>
  <div>&nbsp;</div>
  <div>Regards,</div>
  <div>Konstantin</div>
  <div>&nbsp;</div>
  <div>&nbsp;</div>
  <div>&nbsp;</div>
  <pre wrap="">
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