Result

class ase2sprkkr.asr.magnetic_anisotropy.Result(phi, theta, E_z, dE_zx, dE_zy, E_x, E_y, spin_axis)[source]

Class hierarchy

Inheritance diagram of ase2sprkkr.asr.magnetic_anisotropy.Result

Constructor

Parameters:
  • phi (float)

  • theta (float)

  • E_z (float)

  • dE_zx (float)

  • dE_zy (float)

  • E_x (float)

  • E_y (float)

  • spin_axis (str)

__init__(phi, theta, E_z, dE_zx, dE_zy, E_x, E_y, spin_axis)

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