From: Robert H. <ha...@st...> - 2010-09-10 15:42:44
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I think it's an atom property already, isn't it? should be something like label %[magneticMoment] Bob On Fri, Sep 10, 2010 at 10:31 AM, P.Canepa <pc...@ke...> wrote: > > Dear all, > > I was wondering if it is possible to add a label option to print out the > magneticMoment . It could be a small s or m as these are not used yet . It > would be useful to me. > So far this property can be read just from CRYSTAL outputs but I know for > sure that Gaussian and other popular molecular ab-initio packages such as > GAMESS print magnetic moment too . > > Thanks, Piero > > -- > Please consider the environment before printing this e-mail. > > Pieremanuele Canepa > Room 104 > Functional Material Group > School of Physical Sciences, Ingram Building, > University of Kent, Canterbury, Kent, > CT2 7NH > United Kingdom > > e-mail: pc...@ke... > mobile: +44 (0) 7772-9756456 > ----------------------------------------------------------- > > ------------------------------------------------------------------------------ > Automate Storage Tiering Simply > Optimize IT performance and efficiency through flexible, powerful, > automated storage tiering capabilities. View this brief to learn how > you can reduce costs and improve performance. > http://p.sf.net/sfu/dell-sfdev2dev > _______________________________________________ > Jmol-developers mailing list > Jmo...@li... > https://lists.sourceforge.net/lists/listinfo/jmol-developers > -- Robert M. Hanson Professor of Chemistry St. Olaf College 1520 St. Olaf Ave. Northfield, MN 55057 http://www.stolaf.edu/people/hansonr phone: 507-786-3107 If nature does not answer first what we want, it is better to take what answer we get. -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 |