Question regarding generating POSCAR files for the various structures
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A HARIKESH
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Dec 13, 2025, 6:25:58 AM (4 days ago) Dec 13
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to CALYPSO
I got the Python Analysis Results from the CALYPSO calculation ,I got the structure arranged in order of increasing enthalpy for MnTe for both z=2(Hexagonal has lowest enthalpy) and z=4(Orthorhombic has lowest enthalpy) ,but i am not sure how to get the POSCAR files of these structures .