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Markus Scheidgen
parser-exciting
Commits
b20effff
Commit
b20effff
authored
Mar 15, 2017
by
Pardini, Lorenzo (lopa)
Browse files
added bandstructure parsing
parent
f50fc0ac
Changes
1
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Inline
Side-by-side
parser/parser-exciting/parser_exciting.py
View file @
b20effff
...
...
@@ -89,7 +89,7 @@ class ExcitingParserContext(object):
backend
.
addValue
(
'single_configuration_calculation_to_system_ref'
,
self
.
secSystemIndex
)
dirPath
=
os
.
path
.
dirname
(
self
.
parser
.
fIn
.
name
)
dosFile
=
os
.
path
.
join
(
dirPath
,
"dos.xml"
)
bandFile
=
os
.
path
.
join
(
dirPath
,
"
s
bandstructure.xml"
)
bandFile
=
os
.
path
.
join
(
dirPath
,
"bandstructure.xml"
)
fermiSurfFile
=
os
.
path
.
join
(
dirPath
,
"FERMISURF.bxsf"
)
# inputFile = os.path.join(dirPath, "input.xml")
gwFile
=
os
.
path
.
join
(
dirPath
,
"GW_INFO.OUT"
)
...
...
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