How To plot the Contour Plot of Electron Density?

After calculation the electron density using LAPW5, you will get a file case case.rho which will be used to get the contour plot or the 3D plot with the graphical interface w2web.

If you want to get your own plot, there are many ways to do it which are:

1- using xcrysden program working under linux or

2- using gnuplot program working under linuw or 

3-  using origin working under windows. 

To lean how to create by your self your own contour plot using orin you can do through the following link which is not easy for a begineer.

https://materials-sciences-algerien1970.blogspot.com/2019/01/whtat-does-it-mean-contour-plot-and-how.html


But our colleague Dr Benabdellah has made the task easier and elaborated a script which converts the case.rho to another form called "wyz form" which is easier to plot even using gnuplot program or using origin program. You can download this script from the following link:

https://drive.google.com/file/d/1-hF2AEMw__1gWWCDax6AB8JB8g2ymeuc/view


After executing the script, you can get matrix form or the wyz form of the electron density data.

To plot electron density using gnuplot, check the following video:

To plot the elctron density using origin , ckeck the following video: