diff --git a/doc/uploader-info.md b/doc/uploader-info.md new file mode 100644 index 0000000000000000000000000000000000000000..fea4081250c89a197d34040e637f1fc44ffb3e3a --- /dev/null +++ b/doc/uploader-info.md @@ -0,0 +1,29 @@ +# 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.