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Normally,dp-potentials under different temperature can not be transferable. As we know,DFT always works under 0K. If the trainning data comes from AIMD under 1000K, will the scf results of DFT provide the right information for dp-potentials in the following trainning?
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Normally,dp-potentials under different temperature can not be transferable. As we know,DFT always works under 0K. If the trainning data comes from AIMD under 1000K, will the scf results of DFT provide the right information for dp-potentials in the following trainning?
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