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Markus Scheidgen
parser-exciting
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87abe3fe
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87abe3fe
authored
Mar 19, 2018
by
Pardini, Lorenzo (lopa)
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# 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.
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