How to set the temperature in AIMD to generate the training structure #287
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dengmou123
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Hi everyone！
Should the training structure obtained under the temperature background set in AIMD have a certain connection with the temperature range set for the subsequent calculation of the dispersion relationship at finite temperatures?
For example, I set the temperature to 300K in AIMD. However, the temperature range for calculating the dispersion relation is 100K-1000K. Will this cause some kind of conflict?
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