Symmetry and random sampling of symmetry independent configurations for the simulation of disordered solids
A symmetry-adapted algorithm producing uniformly at random the set of symmetry independent configurations (SICs) in disordered crystalline systems or solid solutions is presented here. Starting from Pólya's formula, the role of the conjugacy classes of the symmetry group in uniform random sampl...
| Main Authors: | , , , , , |
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| Format: | Journal Article |
| Published: |
Institute of Physics Publishing Ltd.
2013
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| Subjects: | |
| Online Access: | http://hdl.handle.net/20.500.11937/35925 |