I am doing some heterostructure calculation. In this calculation, I have to plot planar average and macroscopic average of potential. I have generated LOCPOT file from vasp. But do not know procedure of plotting macroscopic potential. I found a script but i think this is for one material not of heterostrucutres. Link and shap of graph is given below.
https://github.com/WMD-group/MacroDensity/blob/master/InputControl.py
Hi, I am not a specialist in this topic but it seems that a MATLAb package exists called VASPLAB that allows inporting vasp data into MATLAB :
https://fr.mathworks.com/matlabcentral/fileexchange/36836-vasplab?
Then, it is certainly possible to use MATLAB plot functions.
The MacroDensity program PlanarAverage works for exactly what you are asking. You just change the value of the lattice vector to that of your interface lattice vector length (assuming a cubic structure ...take the larger value if your interface is not a perfect square). Then the program plots the value for you nicely, or you can use the output file planar.dat and plot the result using gnuplot (gnuplot >> plot "planar.dat" with lines)
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