QEview

This tool is designed to streamline the analysis and visualization of results obtained from Quantum Espresso simulations, including:

• Band Structure
• Density of States (DOS, pDOS)
• Wannier projection using Wannier90

By simplifying the interpretation of complex data, this package provides an efficient and user-friendly approach while remaining flexible for customization.

Supported Systems

The package supports:

• 2D and 3D materials
• Ferromagnetic (FM) and Paramagnetic (PM) configurations

Key Features

• Visualization: Generate clear and insightful visual representations of your simulation results.
• Predefined Visualization Methods: A simple and intuitive interface for efficient workflow.
• Wannier90 Hamiltonian Loading: Enables band structure interpolation and plotting for enhanced analysis.

API documentation

Explore the user guide to quickly get up to speed with the tool.

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Install

pip install qeview

Usage

Define you data document using:

from qeview.qe_analyse_FM import qe_analyse_FM
import qeview.wannier_loader as wnldr 

calc = qe_analyse_FM('./', 'FeCl2')

Now you can access basic plots and properties

calc.get_qe_kpathBS()

calc.plot_FullDOS(efrom=-10, eto=10)
calc.plot_pDOS('1', efrom=-10, eto=10, yfrom=-10)
calc.plot_BS(efrom=-5, eto=5)