- Functional : GGA X Becke C Lee/Yang/Parr
- orbitals : sp (Mulliken dipole)
- Autor : Daniel.G.Trabada
- method : charge_Cas040600p000600ionPP21010 automatic generation
- cristal = fcc
- E_min = -14.86778 eV
- a_min = 5.54340 angs
- Bulk modulus = 17.63164 GPa
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