- Functional : GGA X Becke C Lee/Yang/Parr
- orbitals : spd (Mulliken dipole)
- Autor : Daniel.G.Trabada
- method : charge_Pds200700p000700Ip000000000d640700 automatic generation
- cristal = fcc
- E_min = -773.74
- a_min = 3.971 angs
- Bulk modulus = 166 GPa
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