Zen
A modern DFT + DMFT computation framework
Thank you for using Zen. This documentation will help you to be familiar with and explore the Zen software package. It is just compatible with Zen v0.5.0-devel.250402.
The Zen software package is in heavy development. Please use it at your own risk. If you encounter any bugs or troubles, or require new features, please consult me directly: huangli at caep.cn
This documentation is under heavy developement. So many pages could be empty.
Introduction
- Outline
- Strongly Correlated Materials
- Density Functional Theory
- Dynamical Mean-Field Theory
- The DFT + DMFT Method
- The DFT + DMFT Codes
- Motivation
- Design Philosophy
- Features
- Future Plan
- Citation
Getting Started
Tutorials
- Outline
- SrVO$_{3}$: Strongly Correlated Metal
- FeSe: Unconventional Superconuctor
- MnO: Mott Insulator
- Ce: $f$-Electron Metal
Guide
- Outline
- Running Modes
- Detailed Recipes
- Input Files
- Output Files
- Input Parameters
- Density Functional Theory Code
- Wannier Function Code
- Dynamical Mean-Field Theory Code
- Dual Fermion Code
- Quantum Impurity Solvers
- Projector Augmented Wave Datasets
- Documentation
- Graphic User Interface
- Tests And Examples
- Auxiliary Tools
- Tips And Tricks
Inside The ZenCore Library
- Outline
- Software Architecture
- Density Functional Theory
- Dynamical Mean-Field Theory
- Quantum Impurity Solvers
- Kohn-Sham Adaptor
- Intermediate Representation
- Self-Energy Functions
- Mixing
The ZenCore APIs
- Outline
- ZenCore
- Global Constants
- Utility
- Analytical Tetrahedron Method
- Types
- Configuration
- Base
- VASP
- Quantum ESPRESSO
- Projected Local Orbitals
- Wannier Functions
- Intermediate Representation
- Dynamical Mean-Field Theory
- Quantum Impurity Solvers
- Self-Energy Functions
- Mixing