Package schrodinger :: Package application :: Package matsci :: Package espresso :: Module qeoutput :: Class KPoint

Class KPoint

object --+
         |
        KPoint

Class to hold information about a k-point.

Instance Methods

__init__(self, tag, vecs=None)
Initialize KPoint object from ElementTree element.

list of three floats

getCoords(self, coords_str)
Return list of coordinates.

str

getCoordsStr(self, frac=False)
Get string representation of the coordinates.

Inherited from object: __delattr__, __format__, __getattribute__, __hash__, __new__, __reduce__, __reduce_ex__, __repr__, __setattr__, __sizeof__, __str__, __subclasshook__

Static Methods

getKptFromCfg(kpt)

Properties

Inherited from object: __class__

Method Details

Initialize KPoint object from ElementTree element.

Parameters:

Overrides: object.__init__

Return list of coordinates.

Parameters:

Returns: list of three floats

K-point coordinates

Get string representation of the coordinates.

Parameters:

frac (bool) - If True, self.frac_coords are returned, otherwise self.cart_coords

Returns: str

String representation of the coordinates