Ionic forces and stress tensor in all-electron density functional theory calculations using an enriched finite-element basis
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Aug 05, 2022
- Source ID
- 10.1103/physrevb.106.085108
Entities
People
- Nelson D. Rufus
- Vikram Gavini
Organizations
- Army Research Office
- United States Department of Energy