cu_bulk_parameter_optimization
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cu_bulk_parameter_optimization [2015/05/28 17:10] krejcio |
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| + | By simple plotting with gnuplot: | ||
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| + | plot "energy.dat" w lp | ||
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| + | {{:energy.png|}} | ||
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| + | , 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 · Last modified: 2015/05/28 17:10 (external edit)
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