Niobium
version 1
  • Nb param
  • Nb OPIUM report file
  • Nb psp in abinit (fhi) format
    		•  tests 1
  • Calculation for bulk (bcc):
    • Nb infile
    Nb outfile
    Nb Energy vs. Volume Plot
    Experimental Lattice Constant: 3.30 Å
    Lattice Constant Error:0.610 %
    Volume Error: 2.786 %
    Experimental Bulk Modulus: 1.702 N/m2
    Bulk Modulus Error: -0.8828 %

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