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Read in CONTCAR by default in LobstertaskDoc for structure field instead of POSCAR #1116

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naik-aakash opened this issue Feb 7, 2025 · 0 comments
Open

Read in CONTCAR by default in LobstertaskDoc for structure field instead of POSCAR #1116

naik-aakash opened this issue Feb 7, 2025 · 0 comments

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@naik-aakash
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Issue

Translation vectors for the detected bonds in the lobster output files are sometimes not consistent when reading in POSCAR

Solution

Read structure data from CONTCAR instead
@naik-aakash naik-aakash changed the title BUG: Read in CONTCAR by default in LobstertaskDoc for structure field Read in CONTCAR by default in LobstertaskDoc for structure field instead of POSCAR Feb 7, 2025
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@naik-aakash