MAGMODELIZE: Magnetic structure models for any given magnetic symmetry
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MAGMODELIZE provides magnetic structure models for any given magnetic subgroup of the corresponding parent grey group of a structure. MAGMODELIZE can be used combined with k-SUBGROUPSMAG. The space group of the paramagnetic phase (parent group), the magnetic space group label, and the group-subgroup basis transformation must be given as input. As well as the program MAXMAGN, MAGMODELIZE provides, for the specified subgroup, the general positions, the systematic absences and domain-related alternative descriptions. A particular structure (CIF file) can also be given as input. In that case, the magnetic structure is also provided, which can be downloaded in a mCIF file or 3D visualized with Jmol via MVISUALIZE.
Note: MAGMODELIZE only works with magnetic space groups in BNS standard setting. If you have a transformation POG to a magnetic space group in OG standard setting, the transformation to that group in BNS standard setting, PBNS, is:
PBNS=POG·POG->BNS where POG->BNS is the transformation matrix from OG to BNS, which can be obtained in MGENPOS.
MAGMODELIZE tutorials:
Tutorial 1: download
Tutorial 2: download
Examples and further information can be found in the following paper:
J.M. Perez-Mato, S.V. Gallego, E.S. Tasci, L. Elcoro, G. de la Flor, and M.I. Aroyo Annu. Rev. Mater. Res. (2015), 45:13.1-13.32
which can be used to cite this program.
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Please, enter the transformation to the standard setting of the subgroup:
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