The script extracts multiple positions in an OUTCAR to generate multiple POSCAR positions #1115
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lammps-vasp
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Hello dp developers
Due to the needs of the subject, I now use a script I wrote to extract the position information in OUTCAR, and then put each structure position in POSCAR for prediction, but found that the accuracy is not up to the point and the coordinate information extracted by dpdata, please ask the developer What is the precision used by dpdata to extract the coordinates? Is there any way to improve the precision for the script I wrote, so that the coord extracted by me is the same as the coord extracted by dpdata
Very much looking forward to reply
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