VASP result export type map and poscar mismatch

[Cc-12342234]

Summary

When I was checking the type map converted by dpdata, I found that the atomic order and count were inconsistent with those in the POSCAR file, and also inconsistent with the line in OUTCAR containing "POSCAR:". When exporting without the type_map command, the order of type.raw matches the atomic numbering in the POSCAR file, but the order in type_map.raw does not correspond to the POSCAR file. Using the type_map command does not resolve this issue either.

dpdata Version

0.2.21

Platform, Python Version, etc

No response

Details

type.txt

type_map.txt

OUTCAR.txt

POSCAR.txt