Iridium
version 3 |
tests 3 Experimental Lattice Constant: 3.84 Å Lattice Constant Error: 0.121 % Volume Error: 0.346 % Experimental Bulk Modulus: 3.55 N/m2 Bulk Modulus Error: 3.736 % |
version 2 |
tests 2 Ir infile Ir outfile Ir Energy vs. Volume Plot Lattice Constant Error: 0.0805 % Volume Error: 0.1045 % Bulk Modulus Error: 3.225 % |
version 1 |
tests 1 Ir infile Ir outfile Ir Energy vs. Volume Plot Lattice Constant Error: -1.451 % Volume Error: -5.0003 % Bulk Modulus Error: -21.108 % |