kpSileSiesta¶
-
class
sisl.io.siesta.
kpSileSiesta
(filename, mode='r', comment=None, *args, **kwargs)[source]¶ k-points file in 1/Bohr units
Attributes
File of the current Sile
File of the current Sile
Methods
__init__
(self, filename[, mode, comment])Initialize self.
dir_file
(self[, filename])File of the current Sile
exist
(self)Query whether the file exists
read
(self, \*args, \*\*kwargs)Generic read method which should be overloaded in child-classes
read_brillouinzone
(self, sc)Returns K-points from the file (note that these are in reciprocal units)
read_data
(self[, sc])Returns K-points from the file (note that these are in reciprocal units)
write
(self, \*args, \*\*kwargs)Generic write method which should be overloaded in child-classes
write_brillouinzone
(self, bz[, fmt])Writes BrillouinZone-points to file
write_data
(self, k, weight[, fmt])Writes K-points to file
-
property
base_file
¶ File of the current Sile
-
dir_file
(self, filename=None)¶ File of the current Sile
-
exist
(self)¶ Query whether the file exists
-
property
file
¶ File of the current Sile
-
read
(self, *args, **kwargs)¶ Generic read method which should be overloaded in child-classes
- Parameters
- kwargs :
keyword arguments will try and search for the attribute
read_<>
and call it with the remaining**kwargs
as arguments.
-
read_brillouinzone
(self, sc)[source]¶ Returns K-points from the file (note that these are in reciprocal units)
- Parameters
- scSuperCellChild
required supercell for the BrillouinZone object
- Returns
- bzBrillouinZone
-
read_data
(self, sc=None)[source]¶ Returns K-points from the file (note that these are in reciprocal units)
- Parameters
- scSuperCellChild, optional
if supplied the returned k-points will be in reduced coordinates
- Returns
- kk-points, in units 1/Bohr
- wweights for k-points
-
write
(self, *args, **kwargs)¶ Generic write method which should be overloaded in child-classes
- Parameters
- **kwargs :
keyword arguments will try and search for the attribute write_ and call it with the remaining
**kwargs
as arguments.
-
property