Example ListΒΆ
Jupyter notebooks show simple work cases for the most important functions of the library:
- Creating a discretized grid to analyse functions
- Comparing two functions on a discretized grid
- Plotting the band structure and projected density of states (pDOS) from CP2K output-files
- Plotting the band structure and projected density of states (pDOS) from FHI-aims output files
- Plotting the band structure, projected density of states (pDOS) and thermal properties from phonopy output-files
- Plotting the band structure and projected density of states (pDOS) from Quantum ESPRESSO output-files
- Plotting the band structure and projected density of states (pDOS) from Materials Project
- Plotting atomic partial charges from Critic2 output-files
- Plotting planar fields from Critic2 output files
- Using the
SimplePlotclass as a flexible plotting framework - How to use the plots package to plot a x-ray absorption spectrum
- Calculating the coordination numbers for different atomic sites
- Querying the structure pool for the Cs-Te binary system
- Calculating the F-Fingerprint to compare crystal structures