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I already run for several cases. In all these cases, the highest percentage of the predicting energy whose abs error are less than 0.0015eV compare with the DFT result is 18%.And I hope my result can increase to 30%,what can I do?
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I already run for several cases. In all these cases, the highest percentage of the predicting energy whose abs error are less than 0.0015eV compare with the DFT result is 18%.And I hope my result can increase to 30%,what can I do?
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