usingVASP-AIMD dpdata error #338
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I HAD ALREADY computed a DFT-AIMD nvt system,and got its OUTCAR for steps is NSW=500,and then I wanted using dpdata to prepare data,I always encounted this error.THANKYOUYOU!!! Traceback (most recent call last): |
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Replies: 2 comments 3 replies
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@njzjz ,,,plzzz if you know some details about a Standardize data conversion process about VASP-AIMD-OUTCAR to Deepmd trained data,could you tell me?Or You really ever met this situation and get fixed well,too much thanks telling me so!!! |
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Could you please provide |
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@njzjz ,,,plzzz if you know some details about a Standardize data conversion process about VASP-AIMD-OUTCAR to Deepmd trained data,could you tell me?Or You really ever met this situation and get fixed well,too much thanks telling me so!!!