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cu_bulk_parameter_optimization [2015/05/28 17:10]
krejcio
cu_bulk_parameter_optimization [2015/05/28 17:15] (current)
krejcio
Line 173: Line 173:
  done   done
 +By simple plotting with gnuplot:
 +
 +  plot "energy.dat" w lp
 +
 +{{:energy.png|}}
 +
 +, you'll obtain, that the optimized lattice constant is 3.3 Angstrom. (The experimental is 3.614 Angstrom.)
 
cu_bulk_parameter_optimization.txt · Last modified: 2015/05/28 17:15 by krejcio
 
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