Platinum
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version 3 |
tests 3 Pt outfile Pt Energy vs. Volume Plot Experimental Lattice Constant: 3.92 Å Lattice Constant Error: -0.1449 % Volume Error: -0.4563 % Experimental Bulk Modulus: 2.783 N/m2 Bulk Modulus Error: -1.052 % |
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version 2 |
tests 2 Pt infile Pt outfile Pt Energy vs. Volume Plot Lattice Constant Error: 0.4446 % Volume Error: 1.3224 % Bulk Modulus Error: -2.961 % |
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version 1 |
tests 1 Pt infile Pt outfile Pt Energy vs. Volume Plot Lattice Constant Error: -0.0965 % Volume Error: -0.3024 % Bulk Modulus Error: -1.5003 % |
