gen_4 FeCoGa - relaxed - phonon dispersion

Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.08 THz

2 views

1108 x 779

144.93 KB

.png file

1 input asset

.cif file
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -27.4767 eV; energy change = -0.0010 eV; symmetry: P4mm → P4mm
3mo

Loading compatible actions...

Loading comments...