W2K Database

DFT + embedded DMFT results (Wien2K + eDMFT). Click a result to open an interactive plot. Greyed entries are not available for that compound.

LDA resultsDMFT results Input filesFiles & references
Compound DOSOPTBANDSDOSΣGΔOPTPROBA(k,ω) struct indmfl indmfi params files reference struct ref
AmC – – BANDS DOS Σ G Δ – – – struct indmfl indmfi params files reference struct ref
AmN – – BANDS DOS Σ G Δ – – – struct indmfl indmfi params files reference –
AmO2 – – BANDS DOS Σ G Δ – – – struct indmfl indmfi params files reference –
Ba122-AFM – – – DOS Σ G Δ – PROB – struct indmfl indmfi params files – –
BaFe2As2 – – – DOS Σ G Δ – PROB – struct indmfl indmfi params files reference struct ref
BaFe2As2_2015 – – – DOS Σ G Δ OPT PROB A(k,ω) struct indmfl indmfi params files reference –
CaFe2As2 – – – DOS Σ G Δ – PROB A(k,ω) struct indmfl indmfi params files reference –
CaFeAsF – – – DOS Σ G Δ – PROB A(k,ω) struct indmfl indmfi params files reference –
Ce_alpha – – – DOS Σ G Δ – – – struct indmfl indmfi params files reference –
Ce_gamma – – – DOS Σ G Δ – – – struct indmfl indmfi params files reference –
CmC – – BANDS DOS Σ G Δ – – – struct indmfl indmfi params files reference –
CmN – – BANDS DOS Σ G Δ – – – struct indmfl indmfi params files reference –
CmO2 – – BANDS DOS Σ G Δ – – – struct indmfl indmfi params files reference –
DATA – – – – – – – – – – – – – – files – –
FeAs2 – – BANDS – – – – – – – struct – – – files reference –
FeO – – – DOS Σ G Δ – – – struct indmfl indmfi params files reference struct ref
FeO_qmc – – – DOS Σ G Δ – PROB – struct indmfl indmfi params files – –
FeSb2 – – BANDS – – – – – – – struct – – – files reference struct ref
FeSe – – – DOS Σ G Δ – PROB – struct indmfl indmfi params files reference struct ref
FeSe_2015 – – – DOS Σ G Δ – PROB A(k,ω) struct indmfl indmfi params files reference –
FeSi – – – DOS Σ G Δ – PROB – struct indmfl indmfi params files reference –
FeTe – – – DOS Σ G Δ – PROB – struct indmfl indmfi params files reference struct ref
FeTe_2015 – – – DOS Σ G Δ – PROB A(k,ω) struct indmfl indmfi params files reference –
KFe2As2 – – – DOS Σ G Δ – PROB A(k,ω) struct indmfl indmfi params files reference –
La2CuO4 – – – DOS Σ G Δ – PROB – struct indmfl indmfi params files reference –
LaFeAsO – – – DOS Σ G Δ – PROB – struct indmfl indmfi params files reference struct ref
LaFeAsO_2015 – – – DOS Σ G Δ – PROB – struct indmfl indmfi params files reference –
LaFePO – – – DOS Σ G Δ – PROB – struct indmfl indmfi params files reference struct ref
LaFePO_2015 – – – DOS Σ G Δ – PROB A(k,ω) struct indmfl indmfi params files reference –
LaNiO3 DOS OPT BANDS DOS Σ G Δ OPT PROB – struct indmfl indmfi params files reference struct ref
LaTiO3 – – – DOS Σ G Δ – PROB – struct indmfl indmfi params files reference struct ref
LaVO3 – – – DOS Σ G Δ – PROB – struct indmfl indmfi params files reference struct ref
LiFeAs – – – DOS Σ G Δ – PROB – struct indmfl indmfi params files reference struct ref
LiFeAs_2015 – – – DOS Σ G Δ – PROB A(k,ω) struct indmfl indmfi params files reference –
MgFeGe – – – DOS Σ G Δ – PROB A(k,ω) struct indmfl indmfi params files reference –
NaFeAs – – – DOS Σ G Δ – PROB A(k,ω) struct indmfl indmfi params files reference –
NiO – – – DOS Σ G Δ – PROB – struct indmfl indmfi params files – struct ref
NiO_OCA – – – DOS Σ G Δ – – – struct indmfl indmfi params files – –
NpC – – BANDS DOS Σ G Δ – – – struct indmfl indmfi params files reference –
NpCoGa5 – – – DOS Σ G Δ – – – struct indmfl indmfi params files reference –
NpN – – – DOS Σ G Δ – – – struct indmfl indmfi params files reference –
NpO2 – – BANDS DOS Σ G Δ – – – struct indmfl indmfi params files reference –
Pu – – – DOS Σ G Δ – – – struct indmfl indmfi params files reference –
Pu_ctqmc – – – DOS Σ G Δ – PROB – struct indmfl indmfi params files – –
PuC – – – DOS Σ G Δ – – – struct indmfl indmfi params files reference –
PuCoGa5 – – – DOS Σ G Δ – – – struct indmfl indmfi params files reference –
PuN – – BANDS DOS Σ G Δ – – – struct indmfl indmfi params files reference –
PuO2 – – – DOS Σ G Δ – – – struct indmfl indmfi params files reference –
RuSi – – – – – – – – – – struct – – – files reference –
Sr2IrO4-000AFM – – – DOS Σ G Δ – PROB A(k,ω) struct indmfl indmfi params files reference –
Sr2IrO4-AFM2 – – – DOS Σ G Δ OPT PROB A(k,ω) struct indmfl indmfi params files reference –
Sr3Ir2O7-000AFM – – – DOS Σ G Δ OPT PROB A(k,ω) struct indmfl indmfi params files reference –
SrFe2As2 – – – DOS Σ G Δ – PROB A(k,ω) struct indmfl indmfi params files reference –
SrFeAsF – – – DOS Σ G Δ – PROB A(k,ω) struct indmfl indmfi params files reference –
SrIrO3 – – – DOS Σ G Δ OPT PROB A(k,ω) struct indmfl indmfi params files reference struct ref
SrVO3 – – – DOS Σ G Δ – PROB – struct indmfl indmfi params files reference struct ref
UC – – – DOS Σ G Δ OPT PROB – struct indmfl indmfi params files reference –
UN – – – DOS Σ G Δ OPT PROB – struct indmfl indmfi params files reference –
UO – – – DOS Σ G Δ – PROB – struct indmfl indmfi params files – –
UO2 – – – DOS Σ G Δ – – – struct indmfl indmfi params files reference –
UO2_ctqmc – – – DOS Σ G Δ – PROB – struct indmfl indmfi params files – –
URu2Si2 – – – DOS Σ G Δ OPT PROB – struct indmfl indmfi params files reference struct ref
YOUR_MATERIAL – – – – – – – – – – – – – – files – –