F_00

• Functional : GGA X Becke C Lee/Yang/Parr
• orbitals : spd (Löwdin)
• Autor : Daniel.G.Trabada
• method : charge_Fs200550p460550d000550Id200120000 automatic generation
• cristal = sc
• E_min = -656.94
• a_min = 2.204 angs
• Bulk modulus = 59 GPa
• read more