Ag_00

• Functional : LDA Ceperley/Alder Perdew/Zunger (1980)
• orbitals : sd (Löwdin)
• Autor : Daniel.G.Trabada
• method : charge_Ags130500d620500 automatic generation
• cristal = fcc
• E_min = -977.75
• a_min = 4.064 angs
• Bulk modulus = 118 GPa
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Ag_01

• Functional : LDA Ceperley/Alder Perdew/Zunger (1980)
• orbitals : sd
• Autor : Daniel.G.Trabada
• method : charge ns_0.60_5.00_nd_9.00_3.30
• E_min = -998.77879 eV
• a_min = 4.07840 angs
• Bulk modulus = 115.05938 GPa