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Dear all,
<p class="MsoNormal"><span style="mso-spacerun:yes"> <br></span></p><p class="MsoNormal"><span style="mso-spacerun:yes"> </span>I am trying to
set up inputs for Co(2+) (4s0 3d7) system with two different configurations of
high spin (11, 11, 1, 1, 1) and low spin (11, 11, 11, 1, 0). <br></p><p class="MsoNormal"><br></p>
<p class="MsoNormal">Can you guide me how to set NEL values in &ALPHA and &BETA
subsections? <span style="mso-spacerun:yes"><br></span></p><p class="MsoNormal"><span style="mso-spacerun:yes"><br></span></p>
<p class="MsoNormal">Best Regards,</p>
<p class="MsoNormal">Elham</p>
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