rkpSileSiesta¶
-
class
sisl.io.siesta.
rkpSileSiesta
(filename, mode='r', comment=None, *args, **kwargs)¶ Bases:
sisl.io.siesta.kpSileSiesta
Special k-point file with units in reciprocal lattice vectors
Its main usage is as input for the kgrid.File fdf-option, in which case this file provides the k-points in the correct format.
Attributes
__dict__
__doc__
__module__
__weakref__
list of weak references to the object (if defined)
_write_default
_write_default_only
File of the current Sile
File of the current Sile
Methods
_ArgumentParser_args_single
()Default arguments for the Sile
__delattr__
Implement delattr(self, name).
__dir__
Default dir() implementation.
__enter__
()Opens the output file and returns it self
__eq__
Return self==value.
__exit__
(type, value, traceback)__format__
Default object formatter.
__ge__
Return self>=value.
__getattr__
(name)Override to check the handle
__getattribute__
Return getattr(self, name).
__gt__
Return self>value.
__hash__
Return hash(self).
__init__
(filename[, mode, comment])Initialize self.
__init_subclass__
This method is called when a class is subclassed.
__iter__
()Iterator for file
__le__
Return self<=value.
__lt__
Return self<value.
__ne__
Return self!=value.
__new__
Create and return a new object.
__reduce__
Helper for pickle.
__reduce_ex__
Helper for pickle.
__repr__
Return repr(self).
__setattr__
Implement setattr(self, name, value).
__sizeof__
Size of object in memory, in bytes.
__str__
()Return a representation of the Sile
__subclasshook__
Abstract classes can override this to customize issubclass().
_base_file
(f)Make f refer to the file with the appropriate base directory
_base_setup
(*args, **kwargs)Setup the Sile after initialization
_open
()_setup
(*args, **kwargs)Setup the Sile after initialization
_write
(*args, **kwargs)Wrapper to default the write statements
dir_file
([filename])File of the current Sile
exist
()Query whether the file exists
read
(*args, **kwargs)Generic read method which should be overloaded in child-classes
Returns K-points from the file
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
-
property
base_file
¶ File of the current Sile
-
dir_file
(filename=None)¶ File of the current Sile
-
exist
()¶ Query whether the file exists
-
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
- Parameters
sc (SuperCellChild) – required supercell for the BrillouinZone object
- Returns
bz
- Return type
-
read_data
()[source]¶ Returns K-points from the file (note that these are in reciprocal units)
- Returns
k (k-points, in units of the reciprocal lattice vectors)
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
-
property