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

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Version 2.1 - published on 19 Mar 2024

doi:10.21981/PAX3-9Y79 cite this

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Usage

World usage

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

• Monthly
• Yearly
• Cumulative

Cumulative Simulation Users

84

15 21 29 34 36 37 43 47 49 51 52 58 65 68 69 73 78 82 84

Simulation Runs

111,582 Apr 2024

2189 12941 15846 16862 22697 31312 48922 54227 56413 60600 62881 64913 65873 68925 101008 105985 108378 110618 111582

Overview

	Average	Total
Wall Clock Time	1.41 days	1856.66 days
CPU time	3.31 days	4363.48 days
Interaction Time	4.05 hours	222.75 days