This file is automatically generated. It contains the descriptions of each uploaded file as provided by the user.
- raw_inputs_outputs.tar.gz: Raw Yambo and quantumESPRESSO inputs and outputs
- README.txt: Information on this entry
- README-AiiDA.txt: Information on the GW100.aiida file
- G0W0@PBE_HOMO_Yambov5.0.0_NCPP_lin_extra_MC.json: Data on the extrapolated G0W0 HOMO
- G0W0@PBE_LUMO_Yambov5.0.0_NCPP_lin_extra_MC.json: Data on the extrapolated G0W0 LUMO
- analyse_molecule.py: script to obtain extrapolations from the GW100.aiida database
- structures.tar.gz: structures in xsf format
- GW100.aiida: aiida database