That's the only thing about the magnetic moment on the documentation
Crystal09 solid state computation output, including support for 1D
(polymer) and 2D (slab) periodicity. This file format creates the atom
properties property_spin and property_magneticMoment [Jmol 12.0].
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Pieremanuele Canepa
Room 104
Functional Material Group
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CT2 7NH
United Kingdom
e-mail: [email protected]
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________________________________________
From: Robert Hanson [[email protected]]
Sent: Friday, September 10, 2010 4:42 PM
To: [email protected]
Subject: Re: [Jmol-developers] magneticMoment on structure
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
<[email protected]<mailto:[email protected]>> 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
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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: [email protected]<mailto:[email protected]>
mobile: +44 (0) 7772-9756456
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