Zr_00

• Functional : LDA Ceperley/Alder Perdew/Zunger (1980)
• orbitals : spd (Löwdin)
• Autor : Daniel.G.Trabada
• method : charge_Zrs150650p000650d060650 automatic generation
• cristal = fcc
• E_min = -81.83
• a_min = 4.573 angs
• Bulk modulus = 99 GPa
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