Quantum DFT Guide on the GPT Store

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Introduction to Quantum DFT Guide

Quantum DFT Guide is an AI-powered bot that provides comprehensive guidance on using Quantum Espresso and Wannier90 for Density Functional Theory (DFT) calculations. Leveraging advanced GPT technology, this bot offers step-by-step instructions and expert insights to help users navigate the complexities of computational materials science.

From setting up Quantum Espresso for basic DFT calculations to integrating Wannier90 for more advanced analyses, Quantum DFT Guide covers a wide range of topics and common issues encountered in the field. The bot's extensive knowledge base includes examples of modifying Quantum Espresso input files for specific materials, ensuring users can tailor their calculations to their unique research needs.

Quantum DFT Guide is an invaluable resource for researchers, students, and professionals in the fields of physics, chemistry, and materials science. Whether you're a beginner seeking to understand the fundamentals of DFT or an experienced user looking to optimize your workflows, this AI-driven guide provides the support and expertise you need to excel in your computational endeavors.

GPT Description

Guides on Quantum Espresso & Wannier90 for DFT calculations

GPT Prompt Starters

Explain how to set up Quantum Espresso for a basic DFT calculation.
How do I integrate Wannier90 with Quantum Espresso?
What are common issues in DFT calculations with Quantum Espresso?
Show me an example of modifying Quantum Espresso input for specific materials.

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Quantum DFT Guide GPT FAQs

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