Osmium
version 3
  • Os param
  • Os OPIUM report file
  • Os psp in abinit (fhi) format
    		•  tests 3
  • Calculation for bulk (hcp):
    • Os infile
    Os outfile
    Os Energy vs. Volume Plot
    Experimental Lattice Constant: 2.74, 4.32 Å
    Lattice Constant Error: 0.019, 0.016 %
    Volume Error: 0.170 %
    Experimental Bulk Modulus: 4.18 N/m2
    Bulk Modulus Error: -0.851 %
    version 1
  • Os param
  • Os OPIUM report file
  • Os psp in abinit (fhi) format
    		•  tests 1
  • Calculation for bulk (hcp):
    • Os Energy vs. Volume Plot
    Lattice Constant Error: -1.584, -1.587 %
    Volume Error: -4.876 %
    Bulk Modulus Error: -3.639 %

    Back to Table