Silver
version 3
  • Ag param
  • Ag OPIUM report file
  • Ag psp in abinit (fhi) format
    		•  tests 3
  • Calculation for bulk (fcc):
    • Ru Energy vs. Volume Plot
    Experimental Lattice Constant: 4.09 Å
    Lattice Constant Error: -0.219 %
    Volume Error: -0.6753 %
    Experimental Bulk Modulus: 1.007 N/m2
    Bulk Modulus Error: -1.401 %
    version 2
  • Ag param
  • Ag OPIUM report file
  • Ag psp in abinit (fhi) format
    		•  tests 2
    Ag infile
    Ag outfile
    Ag Energy vs. Volume Plot
    Lattice Constant Error: -0.1767 %
    Volume Error: -0.4658 %
    Bulk Modulus Error: -0.67454 %
    version 1
  • Ag param
  • Ag OPIUM report file
  • Ag psp in abinit (fhi) format
    		•  tests 2
    Ag infile
    Ag outfile
    Ag Energy vs. Volume Plot
    Lattice Constant Error: 1.001 %
    Volume Error: 3.0002 %
    Bulk Modulus Error: 10.287 %

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