sisl.io.siesta.kpSileSiesta
- class sisl.io.siesta.kpSileSiesta(filename, mode='r', comment=None, *args, **kwargs)
Bases:
sisl.io.siesta.SileSiesta
k-points file in 1/Bohr units
Methods
dir_file
([filename, filename_base])File of the current Sile
read
(*args, **kwargs)Generic read method which should be overloaded in child-classes
Returns K-points from the file (note that these are in reciprocal units)
read_data
([sc])Returns K-points from the file (note that these are in reciprocal units)
write
(*args, **kwargs)Generic write method which should be overloaded in child-classes
write_brillouinzone
(bz[, fmt])Writes BrillouinZone-points to file
write_data
(k, weight[, fmt])Writes K-points to file
File of the current Sile
File of the current Sile
- __init__(filename, mode='r', comment=None, *args, **kwargs)
- property base_file
File of the current Sile
- dir_file(filename=None, filename_base='')
File of the current Sile
- property file
File of the current Sile
- read(*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(sc)[source]
Returns K-points from the file (note that these are in reciprocal units)
- Parameters
sc (SuperCellChild) – required supercell for the BrillouinZone object
- Returns
bz
- Return type
- read_data(sc=None)[source]
Returns K-points from the file (note that these are in reciprocal units)
- Parameters
sc (SuperCellChild, optional) – if supplied the returned k-points will be in reduced coordinates
- Returns
k (k-points, in units 1/Bohr)
w (weights for k-points)
- write(*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.
- write_brillouinzone(bz, fmt='.9e')[source]
Writes BrillouinZone-points to file
- Parameters
bz (BrillouinZone) – object contain all weights and k-points
fmt (str, optional) – format for the k-values