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<a class="moz-txt-link-freetext" href="http://zeus.theochem.tuwien.ac.at/pipermail/wien/2003-October/000880.html">http://zeus.theochem.tuwien.ac.at/pipermail/wien/2003-October/000880.html</a><br>
<a class="moz-txt-link-freetext" href="http://zeus.theochem.tuwien.ac.at/pipermail/wien/2003-October/000882.html">http://zeus.theochem.tuwien.ac.at/pipermail/wien/2003-October/000882.html</a><br>
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<div class="moz-cite-prefix">On 9/20/2017 4:44 AM, shamik
chakrabarti wrote:<br>
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cite="mid:CAMqRRNa38UwpbKfxA8cKpYcUBGSHVcLy+JewOu14XD4TE4mBMA@mail.gmail.com">
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<div>Dear wien2k users,<br>
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How to simulate the ground state
energy of Oxygen molecule (O2) in wien2k?..We can create a
20 Angstorm unit cell & put an oxygen atom at the
centre, but then in which position another oxygen atom can
sit?<br>
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Thanks in advance.<br>
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with regards,<br clear="all">
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-- <br>
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<div style="font-size:12.8px">Dr. Shamik
Chakrabarti<br>
Post Doctoral Research Associate</div>
<div style="font-size:12.8px">Dept. of
Condensed Matter Physics and Material
Science</div>
<div style="font-size:12.8px">S N Bose
National Centre for Basic Sciences<br>
Kolkata-700098<br>
INDIA</div>
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