SSCHA
SSCHA Low temperatures setting #200
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The sscha method is capable of calculating materials that exhibit anharmonicity at low temperatures due to quantum effects, so how do I need to set the temperature in my calculations? Is there any requirement for the choice of ensemble? |
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Answered by
mesonepigreco
Mar 19, 2024
Replies: 1 comment
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This is duplicate of #199 . |
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Answer selected by
mesonepigreco
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This is duplicate of #199 .
All the answers can be seen there