Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -59.2814 eV; energy change = -0.0025 eV; symmetry: P4/mmm → P4/mmm
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.00 THz
Phase diagram of Fe3Co4Ge; eabovehull: 0.000000 eV/atom; predicted_stable: True
Phonon band structure (supercell [3, 3, 3], Δ=0.01 Å); imaginary modes detected; min freq = -7.27 THz
Ggen exploration
Phonon band structure (supercell [3, 3, 3], Δ=0.01 Å); imaginary modes detected; min freq = -1.73 THz
Phonon band structure (supercell [3, 3, 3], Δ=0.01 Å); no imaginary modes; min freq = -0.09 THz
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.04 THz
Phonon band structure (supercell [3, 3, 3], Δ=0.01 Å); imaginary modes detected; min freq = -1.50 THz
Phonon band structure (supercell [3, 3, 3], Δ=0.01 Å); imaginary modes detected; min freq = -0.78 THz
Phonon band structure (supercell [3, 3, 3], Δ=0.01 Å); no imaginary modes; min freq = -0.12 THz
Supercell 3x3x3 of MnFeCo2 (Space group: P4/mmm, 432 symmetry operations)
Phase diagram of Mn2FeCo3; eabovehull: 0.011740 eV/atom; predicted_stable: True
Phonon band structure (supercell [3, 3, 3], Δ=0.01 Å); imaginary modes detected; min freq = -7.33 THz