Ta_00

• Functional : LDA Ceperley/Alder Perdew/Zunger (1980)
• orbitals : spd (Löwdin)
• Autor : Daniel.G.Trabada
• method : charge_Tas000725p000725d160725 automatic generation
• cristal = bcc
• E_min = -129.33
• a_min = 3.318 angs
• Bulk modulus = 224 GPa
• read more