DFTforge.jl

DFTforge
Author KAIST-ELST
Popularity
0 Stars
Updated Last
8 Months Ago
Started In
July 2018

Julia1.0 Julia1.1 Julia1.2

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 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).
  • Gennerate K-points.
  • Generalised argument parser (support TOML sytle input).

Homepage & How to use

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