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