Data Fitting with DFT

[shahid-sattar]

Dear Developers,
Thanks for making this code available for users.
May I ask if you can add k-p data fitting with DFT and add an example file?
Perhaps it can be done for a small region around a high-symmetry point by having a second-order k-p model expansion.

Thanks in advance.

[zhangzeyingvv]

I have added three functions vaspEig, bandManipulateWithVASP, and fittingKP to fit the kp Hamiltonian. See Examples\FittingKPParameters.nb file for example.