aiida_quantumespresso.calculations.functions.xspectra.merge_spectra
#
CalcFunction to merge multiple XyData
nodes of calculated XANES spectra into a new XyData
node.
Module Contents#
Functions#
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Compile all calculated spectra into a single |
- aiida_quantumespresso.calculations.functions.xspectra.merge_spectra.merge_spectra(**kwargs)[source]#
Compile all calculated spectra into a single
XyData
node for easier plotting.The keyword arguments must be an arbitrary number of
XyData
nodes from the output_spectra of XspectraCalculation`s, all other `kwargs will be discarded at runtime.Returns a single
XyData
node where each set of y values is labelled according to the polarisation vector used for the XspectraCalculation.