Tutorials

Config of DFTpy script

• Script mode of DFTpy

OFDFT

• Optimization of Density
• Relaxation of Structure
• Molecular Dynamics Simulation

Local Pseudopotentials

• Build your own optimized local pseudopotential (LPP)
• QEpy
• DFTpy: optimize the LPP

Spin unrestricted calculation

• Spin unrestricted calculations with DFTpy

TDDFT

• Use of Propagator

Do it on a Jupyter Notebook!

• Optimization
• TD-OFDFT Tutorials