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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