Franz Knuth, Christian Carbogno, Viktor Atalla, Volker Blum, Matthias Scheffler. All-electron formalism for total energy strain derivatives and stress tensor components for numeric atom-centered orbitals. Computer Physics Communications, 190:33-50, 2015. [doi]
@article{KnuthCABS15,
title = {All-electron formalism for total energy strain derivatives and stress tensor components for numeric atom-centered orbitals},
author = {Franz Knuth and Christian Carbogno and Viktor Atalla and Volker Blum and Matthias Scheffler},
year = {2015},
doi = {10.1016/j.cpc.2015.01.003},
url = {http://dx.doi.org/10.1016/j.cpc.2015.01.003},
researchr = {https://researchr.org/publication/KnuthCABS15},
cites = {0},
citedby = {0},
journal = {Computer Physics Communications},
volume = {190},
pages = {33-50},
}