Mo_00

• Functional : LDA Ceperley/Alder Perdew/Zunger (1980)
• orbitals : sd (Mulliken dipole)
• Autor : Daniel.G.Trabada
• method : charge_Mos200700d275700 automatic generation
• cristal = bcc
• E_min = -214.48
• a_min = 3.161 angs
• Bulk modulus = 314 GPa
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