Elastic Constants with DFT

1. Purdue University

Using quantum espresso to compute the stresses associated with different strain states and fitting the elastic tensor.

You must login before you can run this tool.

Version 1.4 - published on 10 Apr 2024

doi:10.21981/Y6GH-NN81 cite this

Open source: license | download

Version	Released	DOI Handle	Published
1.4	10 Apr 2024	doi:10.21981/Y6GH-NN81	yes
1.3	09 Apr 2024	doi:10.21981/EBCP-MH44	no
1.2	09 Apr 2024	doi:10.21981/ZTXG-Y857	no
1.1	22 Mar 2024	doi:10.21981/SXBZ-0Y58	no
1.0	22 Mar 2024	doi:10.21981/CQSG-BH26	no