Sel set #466
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foreverfreedown
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Sel set
#466
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See #108 |
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I have trained the Si potenial with the train data supplied by Deepmd-kit website,and I use this potenial to calculate the single vacancy formation energy of Si.But my results are not match with DFT results.Then,I change the sel set and I found the results change a lot.So I want to know how to set the sel and whether the data provided is enough.I hope other can solve my questions.Thanks a lot!
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