eigenvalSileVASP

class sisl.io.vasp.eigenvalSileVASP(filename, mode='r', comment=None, *args, **kwargs)

Kohn-Sham eigenvalues

Attributes

base_file	File of the current Sile
file	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_data(self)	Read eigenvalues, as calculated and written by VASP
write(self, \*args, \*\*kwargs)	Generic write method which should be overloaded in child-classes

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_data(self)

Read eigenvalues, as calculated and written by VASP

Returns

numpy.ndarrayall eigenvalues, shape (ns, nk, nb)

where ns number of spin-components, nk number of k-points and nb number of bands

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.