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<br>Thanks for you reply.<br><font style="font-size: 10pt;" size="2"><br></font><font style="font-size: 12pt;" size="3"><font color="#4f81bd"><font face="Franklin Gothic Medium">Best regards,<br></font><br></font></font><font style="" face="Franklin Gothic Medium"><font color="#4f81bd" size="3">
<hr id="ecxEC_EC_EC_EC_EC_EC_[object]">
<br>Franklin Zhan<br>Ph.D student<br>School of Mechanical and Aerospace Engineering,<br>Nanyang Technological University, Singapore.<br></font></font><font style="" face="Comic Sans MS"><br><br></font><br><br><br><div><div id="SkyDrivePlaceholder"></div><hr id="stopSpelling">Date: Wed, 25 Jul 2012 15:06:13 +0430<br>From: nazari@iasbs.ac.ir<br>To: pw_forum@pwscf.org<br>Subject: Re: [Pw_forum] how to calculate and plot HOMO or LUMO isosurface<br><br> Experimental results show that the stable ground stat of
oxygen molecule is triplet(2s+1=3).<br>> <br>> On Jul 25, 2012,
at 12:20 , Franklin Zhan wrote: <br>> <br>>> since O2 is not
a magnetic system <br>> <br>> I beg your pardon? <br>> <br>>> > You seem not to be a chemist...:-) <br>>> > The
ground state of an O2 molecule is a triplet one, with 7 up <br>>>
valence electrons and 5 down. <br>> <br>> P. <br>> --- <br>> Paolo Giannozzi, Dept of Chemistry&Physics&Environment, <br>> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy <br>>
Phone +39-0432-558216, fax +39-0432-558222 <br>> <br>> <br>> <br>> <br>>
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