Copper
version 3
  • Cu param
  • Cu OPIUM report file
  • Cu psp in abinit (fhi) format
    		•  tests 3
  • Calculation for bulk (fcc):
    • Cu infile
    Cu outfile
    Cu Energy vs. Volume Plot
    Experimental Lattice Constant: 3.61 Å
    Lattice Constant Error: 1.687 %
    Volume Error: 5.025 %
    Experimental Bulk Modulus: 1.37 N/m2
    Bulk Modulus Error: -7.5669 %
    version 2
  • Cu param
  • Cu OPIUM report file
  • Cu psp in abinit (fhi) format
    		•
    version 1
  • Cu param
  • Cu OPIUM report file
  • Cu psp in abinit (fhi) format
    		•

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