Benchmark surface energies with RPA

See here: Benchmark adsorption and surface energies with RPA.

Key-value pairs

key description unit
BEEFvdW_bulk BEEF-vdW bulk eV
BEEFvdW_slab BEEF-vdW slab eV
BEEFvdW_surf Surface energy with BEEF-vdW eV
EXX_bulk EXX bulk eV
EXX_slab EXX slab eV
EXX_surf Surface energy with EXX eV
LDA_bulk LDA bulk eV
LDA_slab LDA slab eV
LDA_surf Surface energy with LDA eV
PBE_bulk PBE bulk eV
PBE_slab PBE slab eV
PBE_surf Surface energy with PBE eV
RPA_EXX_surf Surface energy with EXX+RPA eV
RPA_bulk_ecut300_k12 RPA bulk, Ecut=300, k=12x12x12 eV
RPA_bulk_ecut400_k12 RPA bulk, Ecut=400, k=12x12x12 eV
RPA_bulk_ecut500_k12 RPA bulk, Ecut=500, k=12x12x12 eV
RPA_bulk_extrap RPA bulk extrapolated eV
RPA_slab_ecut300_k12 RPA slab, Ecut=300, k=12x12x1 eV
RPA_slab_ecut300_k6 RPA slab, Ecut=300, k=6x6x1 eV
RPA_slab_ecut400_k6 RPA slab, Ecut=400, k=6x6x1 eV
RPA_slab_ecut500_k6 RPA slab, Ecut=500, k=6x6x1 eV
RPA_slab_extrap RPA slab extrapolated eV
RPA_surf RPA correlation surface energy extrapolated eV
RPBE_bulk RPBE bulk eV
RPBE_slab RPBE slab eV
RPBE_surf Surface energy with RPBE eV
mBEEF_bulk mBEEF bulk eV
mBEEF_slab mBEEF slab eV
mBEEF_surf Surface energy with mBEEF eV
mBEEFvdW_bulk mBEEF-vdW bulk eV
mBEEFvdW_slab mBEEF-vdW slab eV
mBEEFvdW_surf Surface energy with mBEEF-vdW eV
surf_mat Material  
vdWDF2_bulk vdW-DF2 bulk eV
vdWDF2_slab vdW-DF2 slab eV
vdWDF2_surf Surface energy with vdW-DF2 eV