Last active
November 5, 2019 07:17
-
-
Save jwz-ecust/63f37d28d22573d7fe2e95f12ba527a2 to your computer and use it in GitHub Desktop.
WorkFunctionPlot
This file contains hidden or bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
| import matplotlib | |
| matplotlib.use('Agg') | |
| import matplotlib.pyplot as plt | |
| from pymatgen.analysis.surface_analysis import WorkFunctionAnalyzer | |
| plt.figure(figsize=(20, 15)) | |
| kwargs = { | |
| "poscar_filename": './CONTCAR', | |
| "locpot_filename": './LOCPOT', | |
| "outcar_filename": './OUTCAR', | |
| } | |
| wf_analyzer_shift = WorkFunctionAnalyzer.from_files( | |
| shift=-0.25, | |
| blength=3.7, | |
| **kwargs) | |
| wf_analyzer_shift.get_locpot_along_slab_plot(plt=plt, label_fontsize=30) | |
| plt.savefig('tmp.png', dpi=400) |
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment