Result
- class ase2sprkkr.asr.magnetic_anisotropy.Result(dE_zy, dE_zx, spin_axis, E_z, E_x, phi, theta, E_y)[source]
Class hierarchy
Constructor
- Parameters:
dE_zy (float) –
dE_zx (float) –
spin_axis (str) –
E_z (float) –
E_x (float) –
phi (float) –
theta (float) –
E_y (float) –
- __init__(dE_zy, dE_zx, spin_axis, E_z, E_x, phi, theta, E_y)
Instantiate result.
- Parameters:
data (Dict[str, Any]) – Input data to be wrapped.
metadata (dict) – Dictionary containing metadata.
strict (bool or None) – Strictly enforce data entries in data.
- property spin_axis: str
Magnetic easy axis
- property E_x: float
Soc. total energy, x-direction [eV/unit cell]
- property E_y: float
Soc. total energy, y-direction [eV/unit cell]
- property E_z: float
Soc. total energy, z-direction [eV/unit cell]
- property theta: float
Easy axis, polar coordinates, theta [radians]
- property phi: float
Easy axis, polar coordinates, phi [radians]
- property dE_zx: float
Magnetic anisotropy energy between x and z axis [meV/unit cell]
- property dE_zy: float
Magnetic anisotropy energy between y and z axis [meV/unit cell]
- key_descriptions: Dict[str, str] = {'E_x': 'Soc. total energy, x-direction [eV/unit cell]', 'E_y': 'Soc. total energy, y-direction [eV/unit cell]', 'E_z': 'Soc. total energy, z-direction [eV/unit cell]', 'dE_zx': 'Magnetic anisotropy energy between x and z axis [meV/unit cell]', 'dE_zy': 'Magnetic anisotropy energy between y and z axis [meV/unit cell]', 'phi': 'Easy axis, polar coordinates, phi [radians]', 'spin_axis': 'Magnetic easy axis', 'theta': 'Easy axis, polar coordinates, theta [radians]'}
- formats = {'ase_webpanel': <function webpanel>}
- _known_data_keys = {'E_x', 'E_y', 'E_z', 'dE_zx', 'dE_zy', 'phi', 'spin_axis', 'theta'}
- strict = True