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www.iter.orgDivertor
Sandviken, Sweden, 1901, courtesy of Pasha Korzhavyi
graphics from Kieron Burke
https://youtu.be/yawM2ThVlGw
Every output is fully parsed
K. Lejaeghere et al.,Science 351, aad3000 (2016).
Ener
gyVolume
https://molmod.ugent.be/deltacodesdft
https://molmod.ugent.be/deltacodesdft
Surfaces, defects, molecules, …
Band gaps, barriers, spectra, …
O2
ΔE p
er a
tom
[eV]
101
10-1
10-2
10-3
10-4
Basis-set quality
10-3 10-1 10 10-3 10-1 10 10-3 10-1 1010-3 10-1 10
Estimated ΔE per atom [eV]
ΔE p
er a
tom
[eV]
101
10-1
10-2
10-3
10-4
10-3 10-1 10 10-3 10-1 10 10-3 10-1 1010-3 10-1 10
Estimated ΔE per atom [eV]
ΔE p
er a
tom
[eV]
101
10-1
10-2
10-3
10-4
Light bulbsFusion reactorsRadiation shielding
Support material for heterogeneous catalysisPhotovoltaics - in dye‐sensitized solar cellsWhite color in paints and sunscreens
Mainly 1 code: VASPParticular functional: PBE (+U)
1 code: VASP
1 code: VASP
https://materialsproject.org
http://aflowlib.org
http://oqmd.org/
HU Berlin
FHI Berlin
Kings College London
HU Berlin
Univ. Cambridge
Univ. Barcelona
Aalto Univ. Helsinki
Pintail Dublin
FHI Berlin
DTU LyngbyMPSD Hamburg
††
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