Skip to content
Snippets Groups Projects
Select Git revision
  • master default protected
  • simple_matcher
  • legacy-metainfo
  • nomad-coe
  • nitrogen
5 results
Blame Permalink
uploader-info.md 1.07 KiB

exciting-parser

Main file

The main file is INFO.OUT. The parsing starts from this one and it fails if it is not present.

Other files coming from a ground-state calculation

The following files must be in the same folder as INFO.OUT:

  • dos.xml: density of states.
  • bandstructure.xml: band structure.
  • FERMISURF.bxsf: Fermi surface.
  • EIGVAL.OUT: eigenvalues.
  • input.xml:

Other files from GW calculation

GW output files must be in the same folder as the ground-state calculation.

The GW output files that are parsed are:

  • GW_INFO.OUT or GWINFO.OUT (it depends on the code version): it is the main GW output.
  • EVALQP.DAT or EVALQP.TXT (it depends on the code version): contains the eigenvalues.
  • TDOS-QP.OUT: density of states.
  • bandstructure-qp.dat or BAND-QP.OUT (it depends on the code version): band structure
  • BANDLINES.OUT: start and end point of the segments in the band structure plot.
  • SELFC.DAT: self energy
  • input.xml or input-gw.xml or input_gw.xml: most of the parameters that characterize the GW calculation are retrieved from this file.