Br_00

• Functional : GGA X Becke C Lee/Yang/Parr
• orbitals : spd (Löwdin)
• Autor : Daniel.G.Trabada
• method : charge_Brs200600p420600d000600ionPP3720 automatic generation
• cristal = bcc
• E_min = -363.24
• a_min = 3.788 angs
• Bulk modulus = 26 GPa
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