error

class error.Insufficient_PBC_Error(pbc)[source]

An error class defined to announce insufficient PBC arguments.

Parameters

pbc (core.PreArgument.periodicity) – Periodicity

class error.Insufficient_ENLARGE_Error(enlarge)[source]

An error class defined to announce insufficient ENLARGE arguments.

Parameters

enlarge (core.PreArgument.enlargement) – Enlargement

class error.Mismatch_ENLARGE_and_PBC_Error(enlarge, pbc)[source]

An error class defined to announce inconsistency between ENLARGE and PBC arguments.

Parameters

  • enlarge (core.PreArgument.enlargement) – Enlargement

  • pbc (core.PreArgument.periodicity) – Periodicity

class error.Mismatch_ENLARGE_post_Error[source]

An error class defined to announce inconsistency between pre- and post- ENLARGE arguments.

class error.Mismatch_Kpath_and_PBC_Error(kpoint, pbc)[source]

An error class defined to announce inconsistency between K-path and PBC arguments.

Parameters

  • kpoint (np.ndarray[float]) – K-point

  • pbc (core.PostArgument.periodicity) – Periodicity

class error.Invalid_Line_Kpath_Error[source]

An error class defined to announce invalid k-points setting for line path of band plot.

class error.Not_Specified_Kpath_Error(kpoint)[source]

An error class defined to announce the attempt to access unspecified k-points.

Parameters

kpoint (np.ndarray[float]) – K-point

class error.Cannot_Search_Point_Group(look_up_table)[source]

An error class defined to announce that point group cannot be searched.

Parameters

look_up_table (np.ndarray[int]) – Look-up-table used to identify point group (crystal class)

class error.Thermal_Imaginary_Frequency[source]

An error class defined to warn against an attempt to compute thermal properties with imaginary frequency.