4d

CrI3 (v2) - Kitaev ferromagnet - relaxation trajectory

Name: CrI3 (v2) - Kitaev ferromagnet - relaxation trajectory
Creator: mmoderwell
License: https://en.wikipedia.org/wiki/All_rights_reserved

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11mo

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ASE trajectory with 49 frames; Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -86.8581 eV; ΔE = -9.0879 eV; symmetry: R-3c → R3c

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Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -86.8581 eV; ΔE = -9.0879 eV; symmetry: R-3c → R3c
4d
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CrI3 (v2) - Kitaev ferromagnet - relaxation trajectory

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CrI3 (v2) - Kitaev ferromagnet - geometry optimization report