DFTforge.jl

DFTforge
Author KAIST-ELST
Popularity
1 Star
Updated Last
5 Months Ago
Started In
July 2018

Julia1.0 Julia1.1 Julia1.6

The backend package for MFT code Jx.

DFTforge: the DFT postprocessing environment

Simplify obtaining Hamiltonian, Eigenvalue, Eigenvector from DFT results, and Pre-caching them for parallelized calculations. Pre-cached results are easy to use when calculating in k and q space.

DFTforge

The wrapper package for calculating Hamiltonian, Eigenvalue, Eigenvector from DFT results.

  • read DFT results from OpenMX, Wannier90
  • Calculate Phi, Enk, Hks,

Etc. functionalities

  • K-point representation in INT (for unique K,Q).
  • Generate K-points.
  • Generalized argument parser (support TOML style input).

Homepage & How to use

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