Gold
version 2
  • Au param
  • Au OPIUM report file
  • Au psp in abinit (fhi) format
    		•  tests 2
  • Calculation for bulk (fcc):
    • Au Energy vs. Volume Plot
    Experimental Lattice Constant: 4.08 Å
    Lattice Constant Error: 1.110 %
    Volume Error: 3.023 %
    Experimental Bulk Modulus: 1.732 N/m2
    Bulk Modulus Error: -13.86 %
    version 1
  • Au param
  • Au OPIUM report file
  • Au psp in abinit (fhi) format
    		•  tests 1
  • Calculation for bulk (fcc):
    • Au infile
    Au outfile
    Au Energy vs. Volume Plot
    Lattice Constant Error: 1.015 %
    Volume Error: 3.0003 %
    Bulk Modulus Error: 10.808 %

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