- Functional : LDA Ceperley/Alder Perdew/Zunger (1980)
- orbitals : spd (Weighted Löwdin)
- Autor : Daniel.G.Trabada
- method : charge_Mns150650p000650d400650 automatic generation
- cristal = fcc
- E_min = -404.6
- a_min = 3.501 angs
- Bulk modulus = 285 GPa
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