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Calculate energy with constrained magnitude of magnetic moment
Date: 2013/07/30 23:05
Name: Pui-Wai Ma   <leo.ma@ccfe.ac.uk>

Dear Prof. Ozaki,

May I ask is it possible to use OpenMX to calculate the energy of a system, e.g. a single iron atom, but constraining its magnitude of magnetic moment, i.e. fixing (N_up - N_down), and obtaining a energy vs magnetic moment curve? Thank you for your help.

Best Regards,
Pui-Wai (Leo) Ma
Senior Scientist
Culham Centre for Fusion Energy (CCFE)
Abingdon, Oxfordshire OX14 3DB, UK
tel. +44 (0)1235 466681
fax. +44 (0)1235 466435
email: leo.ma@ccfe.ac.uk

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Re: Calculate energy with constrained magnitude of magnetic moment ( No.1 )
Date: 2013/08/01 22:28
Name: T. Ozaki

Hi,

Unfortunately, the functionality is not supported in the current
version of OpenMX, although the same question was posted several times
in the forum.

Thank you very much for your understanding in advance.

Regards,

TO
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