- Functional : LDA Ceperley/Alder Perdew/Zunger (1980)
- orbitals : spd (Löwdin)
- Autor : Daniel.G.Trabada
- method : charge_Ses200700p280700d000700Id100200000 automatic generation
- cristal = bcc
- E_min = -249.74
- a_min = 3.567 angs
- Bulk modulus = 59 GPa
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