User Tools

Site Tools


cu_bulk_parameter_optimization

Differences

This shows you the differences between two versions of the page.

Link to this comparison view

Both sides previous revision Previous revision
Next revision
Previous revision
cu_bulk_parameter_optimization [2015/05/28 17:10]
krejcio
cu_bulk_parameter_optimization [2015/05/28 17:15] (current)
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 ยท Last modified: 2015/05/28 17:15 (external edit)