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cu_bulk_parameter_optimization [2015/05/28 17:10]
cu_bulk_parameter_optimization [2015/05/28 17:15] (current)
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    done    done
 +By simple plotting with gnuplot:
 +  plot "​energy.dat"​ w lp
 +, you'll obtain, that the optimized lattice constant is 3.3 Angstrom. (The experimental is 3.614 Angstrom.)
cu_bulk_parameter_optimization.1432825810.txt.gz ยท Last modified: 2015/05/28 17:10 (external edit)