Cadmium
version 2
  • Cd param
  • Cd OPIUM report file
  • Cd psp in abinit (fhi) format
  • tests 2
  • Calculation for bulk (hcp):
  • Cd Energy vs. Volume Plot
    Experimental Lattice Constant: 2.98, 5.62 Å
    Lattice Constant Error: 1.27, 1.27 %
    Volume Error: 2.781 %
    Experimental Bulk Modulus: 0.467 N/m2
    Bulk Modulus Error: -22.92 %
    version 1
  • Cd param
  • Cd OPIUM report file
  • Cd psp in abinit (fhi) format
  • tests 1
  • Calculation for bulk (hcp):
  • Cd infile
    Cd outfile
    Cd Energy vs. Volume Plot
    Lattice Constant Error: 1.349, 1.349 %
    Volume Error: 3.114 %
    Bulk Modulus Error: -9.0504 %

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