- Functional : LDA Ceperley/Alder Perdew/Zunger (1980)
- orbitals : spd (Mulliken dipole)
- Autor : Daniel.G.Trabada
- method : charge_Als150600p000600d000600ionPP31300 automatic generation
- cristal = fcc
- E_min = -55.48
- a_min = 4.057 angs
- Bulk modulus = 76 GPa
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