README.md

GPAW-PARSE

A utility to parse GPAW .out files and extract data. Based on GPAW version 19.8.1.

Note : Sample .out file given is for Zn3O6H6

Introduction

GPAW-PARSE is a utility tool designed to parse GPAW .out files and extract useful data from them. This tool is especially useful for researchers who are using GPAW for their computational materials science simulations.

Usage

Windows

To use GPAW-PARSE on Windows, follow these simple steps:

1. Download the latest Windows release of GPAW-PARSE from the releases page.
2. Put your .out file in the data folder.
3. Run GPAW_PARSE.exe.

Linux

Run the Python files.

Screenshot