Ba_00

• Functional : LDA Ceperley/Alder Perdew/Zunger (1980)
• orbitals : sp (Weighted Löwdin)
• Autor : Daniel.G.Trabada
• method : charge_Bas140620p000350 automatic generation
• cristal = bcc
• E_min = -11.29
• a_min = 5.036 angs
• Bulk modulus = 9 GPa
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