Palladium
|
version 3 |
tests 3 Pd outfile Pd Energy vs. Volume Plot Experimental Lattice Constant: 3.89 Å Lattice Constant Error: -0.2502 % Volume Error: -0.7573 % Experimental Bulk Modulus: 1.808 N/m2 Bulk Modulus Error: 2.235 % |
|
version 2 |
tests 2 Pd infile Pd outfile Pd Energy vs. Volume Plot Lattice Constant Error: -0.5582 % Volume Error: -1.547 % Bulk Modulus Error: 2.3793 % |
|
version 1 |
tests 1 Pd infile Pd outfile Pd Energy vs. Volume Plot Lattice Constant Error: -0.0246 % Volume Error: -0.7234 % Bulk Modulus Error: -2.1681 % |
