# qeinput

**Repository Path**: wang-tx_1_0/qeinput

## Basic Information

- **Project Name**: qeinput
- **Description**: No description available
- **Primary Language**: Unknown
- **License**: Not specified
- **Default Branch**: main
- **Homepage**: None
- **GVP Project**: No

## Statistics

- **Stars**: 0
- **Forks**: 0
- **Created**: 2024-03-26
- **Last Updated**: 2026-02-23

## Categories & Tags

**Categories**: Uncategorized

**Tags**: None

## README

# qeinput
Simple Quantum-Espresso Input Generator

# Usage
1. Prepare a structure file : *.cif or *.pwi
  (pwi file may contain constraint info.)
2. Add input keywords and values for each section
   or load previous conditions from input file (*.in)
3. Load structure data : "Load CIF" or "Load Input File (*.pwi)"
4. Select PP files for each species
5. Add additional input parameters by typing in the text box
6. Save input file (*.in)

# Update history
2023-07-19: *.pwi file is to be used for updating structural information only