## Contents

## Visualization Challenge set using Quantum ESPRESSO

### Plot: Spin density map -from Quantum ESPRESSO Calculations

We uploaded a spin density map file obtained from Quantum ESPRESSO calculation, you can see a coordinate file, (included in main quantum espresso input file), cube file (can be loaded in VMD or VESTA directly). and a raw plot file (you can use python or other tools ). Cube files are coordinate files with spin up and spin down data.

## Challenge:

To win a visualization competition, we would like you to make an aesthetically pleasing and scientifically meaningful plot. You can use one single plot or combine multiple plots using your favourite tool.

## Suggested Software

You can use combination of VMD , VESTA and python to generate graphics

## Model New Results

## Software Used

### Quantum Espresso

Quantum ESPRESSO is an integrated suite of computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials. Quantum ESPRESSO has evolved into a distribution of independent and inter-operable codes. The Quantum ESPRESSO distribution consists of a “historical” core set of components, and a set of plug-ins that perform more advanced tasks, plus a number of third-party packages designed to be inter-operable with the core components.

For more details see Quantum Espresso .

## Related Models

Following are some related models available for cloning/copying by anyone: