Energy vs. step; Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -31.4592 eV; ΔE = -0.0116 eV; symmetry: Pmm2 → Pmm2
Mn2FeGe (Pmm2) - geometry optimization report
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -31.4592 eV; ΔE = -0.0116 eV; symmetry: Pmm2 → Pmm2