ausblenden:
Projektname
:
We thank James Kermode and Saulius Gra
ž
ulis for their contribution to the discussion
on the metadata, and Pasquale Pavone for precious suggestions on the metadata
structure and names. We thank Patrick Rinke and Ghanshyam Pilania for carefully
reading the manuscript. We thank Claudia Draxl and Kristian Thygesen for their
contribution to the discussions on the necessary information to be stored for excited-
state calculations and on the error bars and uncertainties. We gratefully acknowledge
Damien Caliste, Fabiano Corsetti, Hubert Ebert, Jan Minar, Yann Pouillon, Thomas
Ruh, David Strubbe, and Marc Torrent for their contributions to the ESCDF
speci
fi
cations. We acknowledge Benjamin Regler for the development of the
graphical interface for the query on the NOMAD Archive. We acknowledge inspiring
discussions with Georg Kresse, Peter Blaha, Xavier Gonze, Bernard Delley, and Jörg
Hutter on the energy-zero de
fi
nition and scalar-
fi
eld representation. We thank Ole
Andersen, Evert Jan Baerends, Peter Blaha, Lambert Colin, Bernard Delley, Thierry
Deutsch, Claudia Draxl, John Kay Dewhurst, Roberto Dovesi, Paolo Giannozzi, Mike
Gillan, Xavier Gonze, Michael Frisch, Martin Head-Gordon, Juerg Hutter, Klaus
Koepernik, Georg Kresse, Roland Lindh, Hans Lischka, Andrea Marini, Todd Martinez,
Jens Jørgen Mortensen, Frank Neese, Richard Needs, Taisuke Ozaki, Mike Payne,
Angel Rubio, Trond Saue, Chris Skylaris, Jose Soler, John Stanton, James Stewart,
Marat Valiev for checking the information provided in Table
1
and for useful
suggestions. This project has received funding from the European Union
’
s Horizon
2020 research and innovation program under grant agreement No. 676580, The NOMAD Laboratory, a European Center of Excellence, and the BBDC (contract
01IS14013E).
Grant ID
:
-
Förderprogramm
:
Horizon 2020 (H2020)
Förderorganisation
:
European Commission (EC)
