Aluminum
version 1
  • Al param
  • Al OPIUM report file
  • Al psp in abinit (fhi) format
  • tests 1
  • Calculation for bulk (fcc):
  • Al abinit infile
    Al abinit outfile
    Al Energy vs. Volume Plot
    Experimental Lattice Constant: 4.05 Å
    Lattice Constant Error:0.0779 %
    Volume Error: 0.2169 %
    Experimental Bulk Modulus: 0.722 N/m2
    Bulk Modulus Error: 6.4999 %

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