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

cu_bulk_parameter_optimization [2015/05/28 17:10]
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
 +, 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
Except where otherwise noted, content on this wiki is licensed under the following license:CC Attribution-Noncommercial-Share Alike 3.0 Unported
Recent changes RSS feed Donate Powered by PHP Valid XHTML 1.0 Valid CSS Driven by DokuWiki