Skip to main content

Ctrl+K

ECToolkits Reference

Introduction

Structures

Use Slab Class

Analysis

Atom density analysis
Band alignment
Dissociation degree
Acidity calculation
Finite size correction of interfaces
Collective variables of proton transfer reactions
Reweight for free energies and properties
Redox potentials

Plots

Plot DPMD data

Workflows

Workflow: Calculation of Dielectric Constant

References

Bibliography

API Reference

ectoolkits
- ectoolkits package

Repository
Open issue

.rst

ectoolkits.utils package

Contents

Submodules
Module contents

ectoolkits.utils package#

Submodules#

ectoolkits.utils.math module
ectoolkits.utils.rutile110 module
ectoolkits.utils.utils module
ectoolkits.utils.vasp module

Module contents#

previous

ectoolkits.structures.tools module

next

ectoolkits.utils.math module

Contents

Submodules
Module contents

By Yong-Bin Zhuang

© Copyright 2023.