Stochastic and Deterministic Crystal Structure Solution Methods in GSAS-II: Monte Carlo/Simulated Annealing Versus Charge Flipping
Crystallographic studies frequently involve the determination of a previously unknown crystal structure; General Structure Analysis System (GSAS)-II provides two methods for this purpose. The Monte Carlo/simulated annealing method is fundamentally stochastic in nature; random trials are tested for s...
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| Format: | Article |
| Language: | English |
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MDPI AG
2017-08-01
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| Series: | Crystals |
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| Online Access: | https://www.mdpi.com/2073-4352/7/9/264 |