Cl_00

• Functional : LDA Ceperley/Alder Perdew/Zunger (1980)
• orbitals : spd (Löwdin)
• Autor : Daniel.G.Trabada
• method : charge_Cls050600p480600d000350 automatic generation
• cristal = bcc
• E_min = -402.33
• a_min = 3.382 angs
• Bulk modulus = 45 GPa
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