V_00

• Functional : LDA Ceperley/Alder Perdew/Zunger (1980)
• orbitals : sd (Mulliken dipole)
• Autor : Daniel.G.Trabada
• method : charge_Vs175700d300700 automatic generation
• cristal = bcc
• E_min = -168.26
• a_min = 3.075 angs
• Bulk modulus = 170 GPa
• read more