Question regarding generating POSCAR files for the various structures

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A HARIKESH

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Dec 20, 2025, 9:33:34 AM12/20/25

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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 .I have attached the Crystal Structure Optimization results

zequals4.dat

zequals2.dat

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Dec 20, 2025, 9:33:49 AM12/20/25

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