Cobalt
version 2
  • Co param
  • Co OPIUM report file
  • Co psp in abinit (fhi) format
  • tests 2
  • Calculation for bulk (hcp):
  • Co infile
    Co outfile
    Co Energy vs. Volume Plot
    Experimental Lattice Constant: 2.51, 4.07 Å
    Lattice Constant Error: -0.0121,-0.0123 %
    Volume Error: 0.324 %
    Experimental Bulk Modulus: 1.914 N/m2
    Bulk Modulus Error: 20.987 %
    version 1
  • Co param
  • Co OPIUM report file
  • Co psp in abinit (fhi) format
  • tests 1
  • Calculation for bulk (hcp):
  • Co infile
    Co outfile
    Co Energy vs. Volume Plot
    Lattice Constant Error: -0.4001,-0.4009 %
    Volume Error: 1.224%
    Bulk Modulus Error: 20.4845 %

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