DielectricTensor¶
- class py4vasp.data.DielectricTensor(raw_data)¶
Bases:
py4vasp.data._base.DataBaseThe static dielectric tensor obtained from linear response.
- Parameters
raw_dielectric_tensor (RawDielectricTensor) – Dataclass containing the raw dielectric tensor and the generating method.
Methods Summary
from_dict(dict_)Initialize refinement class from data dictionary
from_file([file])Read the data dictionary from the given file.
print()Print a string representation of this class to standard output.
read()Read the dielectric tensor into a dictionary.
to_dict()Read the dielectric tensor into a dictionary.
Methods Documentation
- classmethod from_dict(dict_)¶
Initialize refinement class from data dictionary
- Parameters
data_dict (dict) – Data dictionary that contains one or more different raw data sources.
- classmethod from_file(file=None)¶
Read the data dictionary from the given file.
You want to use this method if you want to avoid using the Calculation wrapper, for example because you renamed the output of the VASP calculation.
- Parameters
file (str or Path or raw.File) – Filename from which the data is extracted. If not present the default filename is used. Alternatively, you can open the file yourself and pass the File object. In that case, you need to take care the file is properly closed again and be aware the generated instance of this class becomes unusable after the file is closed.
- Returns
The returned instance handles opening and closing the file for every function called on it, unless a File object in which case this is left to the user.
- Return type
DataBase
- print()¶
Print a string representation of this class to standard output.
- read()¶
Read the dielectric tensor into a dictionary.
- Returns
Contains the dielectric tensor and a string describing the method it was obtained.
- Return type
dict
- to_dict()¶
Read the dielectric tensor into a dictionary.
- Returns
Contains the dielectric tensor and a string describing the method it was obtained.
- Return type
dict