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; Rushik Desai¹; Alejandro Strachan¹

1. Purdue University

Cell relax dft with quantum espresso

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Version 3.1 - published on 21 Oct 2024

doi:10.21981/YMMZ-V562 cite this

Open source: license | download

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Usage

World usage

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

• Monthly
• Yearly
• Cumulative

Cumulative Simulation Users

160

15 21 29 34 36 37 43 47 49 51 52 58 65 68 69 73 78 82 87 88 115 147 148 153 160

Simulation Runs

123,030 Oct 2024

2189 12941 15846 16862 22697 31312 48922 54227 56413 60600 62881 64913 65873 68925 101008 105985 108378 110618 111814 112523 114259 119292 119310 122994 123030

Overview

	Average	Total
Wall Clock Time	1.48 days	2556.47 days
CPU time	5.45 days	9407.16 days
Interaction Time	3.64 hours	262.08 days