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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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