paramagpy.metal.Metal.pcs¶

Metal.pcs(position)[source]¶

Calculate the psuedo-contact shift at the given postition

Parameters: position (array floats) – the position (x, y, z) in meters
Returns: pcs – the pseudo-contact shift in parts-per-million (ppm)
Return type: float

Examples

>>> metal = Metal()
>>> metal.set_lanthanide('Er')
>>> metal.pcs([0.,0.,10E-10])
-6.153991132886608