Rhodium
version 3
  • Rh param
  • Rh OPIUM report file
  • Rh psp in abinit (fhi) format
  • tests 3
  • Calculation for bulk (fcc):
  • Rh Energy vs. Volume Plot
    Experimental Lattice Constant: 3.80 Å
    Lattice Constant Error: 0.276 %
    Volume Error: 0.763 %
    Experimental Bulk Modulus: 2.704 N/m2
    Bulk Modulus Error: -1.534 %
    version 2
  • Rh param
  • Rh OPIUM report file
  • Rh psp in abinit (fhi) format
  • tests 2
    Rh infile
    Rh outfile
    Rh Energy vs. Volume Plot
    Lattice Constant Error: -1.464 %
    Volume Error: -3.9672 %
    Bulk Modulus Error: 2.8748 %
    version 1
  • Rh param
  • Rh OPIUM report file
  • Rh psp in abinit (fhi) format
  • tests 1
    Rh infile
    Rh outfile
    Rh Energy vs. Volume Plot
    Lattice Constant Error: -2.389 %
    Volume Error: -7.0003 %
    Bulk Modulus Error: 7.934 %

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