Cell Relax DFT

By Robert Joseph Appleton¹; Saswat Mishra¹; Kat Nykiel¹; Jason Wilkening¹; David Enrique Farache¹; Victoria Anne Tucker¹; Ching-Chien Chen¹; Chukwuma Ezenwata¹; Piyush Pathak¹; Alejandro Strachan¹

1. Purdue University

Cell relax dft with quantum espresso

Launch Tool

You must login before you can run this tool.

Version 2.1 - published on 19 Mar 2024

doi:10.21981/PAX3-9Y79 cite this

Open source: license | download

View All Supporting Documents

• About
• Usage
• Citations
• Questions
• Reviews
• Wishlist
• Versions

Usage

World usage

Location of all "Cell Relax DFT" Users Since Its Posting

• Monthly
• Yearly
• Cumulative

Cumulative Simulation Users

81

15 21 29 34 36 37 43 47 49 51 52 58 65 68 69 73 78 81

Simulation Runs

110,612 Mar 2024

2189 12941 15846 16862 22697 31312 48922 54227 56413 60600 62881 64913 65873 68925 101008 105985 108378 110612

Overview

	Average	Total
Wall Clock Time	1.4 days	1811.32 days
CPU time	2.74 days	3539.6 days
Interaction Time	4.05 hours	218 days