BaCaCu (P3m1) - relaxed - phonon dispersion
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å)
BaCaCu (P3m1) - relaxed
.cif fileRelaxed with Orb v3; 0.03 eV/Å threshold; final energy = -7.8531 eV; energy change = -0.0127 eV; symmetry: P3m1 → P3m1
4mo
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