Thanks for you reply.
Best regards, Franklin Zhan Ph.D student School of Mechanical and Aerospace Engineering, Nanyang Technological University, Singapore. Date: Wed, 25 Jul 2012 15:06:13 +0430 From: naz...@iasbs.ac.ir To: pw_forum at pwscf.org Subject: Re: [Pw_forum] how to calculate and plot HOMO or LUMO isosurface Experimental results show that the stable ground stat of oxygen molecule is triplet(2s+1=3). > > On Jul 25, 2012, at 12:20 , Franklin Zhan wrote: > >> since O2 is not a magnetic system > > I beg your pardon? > >> > You seem not to be a chemist...:-) >> > The ground state of an O2 molecule is a triplet one, with 7 up >> valence electrons and 5 down. > > P. > --- > Paolo Giannozzi, Dept of Chemistry&Physics&Environment, > Univ. Udine, via delle Scienze 208, 33100 Udine, Italy > Phone +39-0432-558216, fax +39-0432-558222 > > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -- > This message has been scanned for viruses and > dangerous content by MailScanner, and is > believed to be clean. > > -- This message has been scanned for viruses and dangerous content by MailScanner, and is believed to be clean. _______________________________________________ Pw_forum mailing list Pw_forum at pwscf.org http://www.democritos.it/mailman/listinfo/pw_forum -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120725/0a9d63ee/attachment.htm