Original data and plot

[ru li]

Dear All

    I have used pyCDT to calculate the defect formation energy, however, the figure print from the pyCDT is not quite good, how could I redraw the figure by using software such as originlab, the whole process outputs some data, like defect_data.json and transitional_level.yaml, when I open it by vim, it is so tedious to read it, any help from you.

Regards

Ru

[PyCDT forum]

defect_data.json and transistional_level.yaml do not contain the data used for plotting. You need to play with the code to generate the print data. A better way would be to play with the matplotlib settings to get plots of your liking.