At_00

• Functional : GGA X Becke C Lee/Yang/Parr
• orbitals : spd (Löwdin)
• Autor : Daniel.G.Trabada
• method : charge_Ats175700p425700d000700 automatic generation
• cristal = fcc
• E_min = -298.7
• a_min = 5.347 angs
• Bulk modulus = 24 GPa
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