Zirconium
version 1 |
tests 1 Zr outfile Zr Energy vs. Volume Plot Experimental Lattice Constant: 3.23, 5.15 Å Lattice Constant Error:0.340557, 0.310680 % Volume Error: 1.0003 % Experimental Bulk Modulus: 0.833 N/m2 Bulk Modulus Error: 16.894 % |