CalculateDelta module

CalculateDelta.getDopant(defect_name)

Extract dopant identifier from a defect name string.

The dopant is assumed to be the prefix of the defect name before the first underscore.

Parameters:

defect_name (str) – Defect name string, e.g. "C_ads0" or "C_int2".

Returns:

Dopant identifier (prefix before the first underscore).

Return type:

str