Sn_00

• Functional : GGA X Becke C Lee/Yang/Parr
• orbitals : spd (Mulliken dipole)
• Autor : Daniel.G.Trabada
• method : charge_Sns150700p200700d000350 automatic generation
• cristal = dia
• E_min = -94.51
• a_min = 6.670 angs
• Bulk modulus = 34 GPa
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Sn_01

• Functional : GGA Becke (1988) X, Lee/Yang/Parr (1988)
• orbitals : sp
• Autor : Daniel.G.Trabada
• method : charge ns_2.00_rs_7.00_np_2.00_rp_7.00_nd_0.00_rd_4.00
• E_min = -189.32832 eV
• a_min = 6.54999 angs
• Bulk modulus = 36.38200 GPa
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Sn_02

• Functional : GGA X Becke C Lee/Yang/Parr
• orbitals : sp
• Autor : Daniel.G.Trabada
• method : charge ns_2.00_rs_7.00_np_2.00_rp_7.00
• E_min = -189.14948 eV
• a_min = 6.58680 angs
• Bulk modulus = 32.01118 GPa
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Sn_03

• Functional : LDA
• orbitals : sp
• Autor : Daniel.G.Trabada
• method : charge ns_1.60_rs_7.00_np_2.00_rp_7.00
• E_min = -192.29813 eV
• a_min = 6.64020 angs
• Volumen = 73.19534 ang**3
• Bulk modulus = 31.47230 GPa
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Sn_04

• Functional : GGA X Becke C Lee/Yang/Parr
• orbitals : sp
• Autor : Daniel.G.Trabada
• method : charge ns_1.60_rs_7.00_np_2.00_rp_7.00
• E_min = -189.38556 eV
• a_min = 6.56440 angs
• Volumen = 70.71721 ang**3
• Bulk modulus = 33.67887 GPa
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