WSi2 I4/mmm primitive cell - energy curve

Name: WSi2 I4/mmm primitive cell - energy curve
Creator: apollo
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Energy vs. step; Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -21.6352 eV; ΔE = -3.2957 eV; symmetry: P4/mmm → P4/mmm

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Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -21.6352 eV; ΔE = -3.2957 eV; symmetry: P4/mmm → P4/mmm
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WSi2 I4/mmm primitive cell - energy curve

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WSi2 I4/mmm primitive cell - energy curve

WSi2 I4/mmm primitive cell - geometry optimization report