Nickel
version 2
  • Ni param
  • Ni OPIUM report file
  • Ni psp in abinit (fhi) format
    		•  tests 2
  • Calculation for bulk (fcc):
    • Ni infile
    Ni outfile
    Ni Energy vs. Volume Plot
    Experimental Lattice Constant: 3.52 Å
    Lattice Constant Error: 1.849 %
    Volume Error: 4.327 %
    Experimental Bulk Modulus: 1.86 N/m2
    Bulk Modulus Error: 5.1318 %
    version 1
  • Ni param
  • Ni OPIUM report file
  • Ni psp in abinit (fhi) format
    		•  tests 1
  • Calculation for bulk (fcc):
    • Ni infile
    Ni outfile
    Ni Energy vs. Volume Plot
    Lattice Constant Error: 0.555 %
    Volume Error: 1.425 %
    Bulk Modulus Error: 3.553 %

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