FAIR-DI e.V.
FAIRmat
NOMAD Laboratory
NOMAD CoE

Publications

F. Knoop, T.A.R. Purcell, M. Scheffler, and C. Carbogno,
FHI-vibes: Ab Initio Vibrational Simulations.
J. Open Source Softw. 52, 2601 (2020)
Preprint download: pdf 
 
 
F. Knoop, T.A.R. Purcell, M. Scheffler, and C. Carbogno,
Anharmonicity Measure for Materials.
Phys. Rev. Materials 4, 083809 (2020)
Preprint download: pdf

 

A. Rasmussen, T. Deilmann, and K. S. Thygesen,
Towards fully automatized GW band structure calculations: What we can learn from 60.000 self-energy evaluations.
Preprint arXiv: https://arxiv.org/abs/2009.00314