dft2kp 0.0.1

Calculates kp model and coefficients from DFT ab initio data.

DFT2kp

A numerical framework to explicitly calculate kp matrix elements from ab-initio data.

Documentation available at dft2kp.gitlab.io/dft2kp

Current features

• Calculates kp matrix elements using the DFT eigenstates from Quantum Espresso (QE).
• Folding down of the effective Hamiltonian into a set of selected bands.
• Rotates the numeriacal basis into a representation informed by the user.

See also

• List of authors: AUTHORS.md
• References to cite if we use our code: CITING.md
• Quick install intructions and compatibility requirements: INSTALL.md