Author Topic: 2016.r1 can not export data for IETS  (Read 2640 times)

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Offline bubble

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2016.r1 can not export data for IETS
« on: July 12, 2016, 02:34 »
I test an example, but found that there is no choice for the IETS to export data as TXT file (see the figure in the attachment).
I want to know how to export data as TXT file for futher treatment (such as Origin ).
Thank you

Offline Jess Wellendorff

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Re: 2016.r1 can not export data for IETS
« Reply #1 on: July 12, 2016, 08:41 »
You can not directly export the data from the plotting widget. Instead, you need to use some of the Python methods available for the analysis object. First, have a looks at the documentation for the InelasticTransmissionSpectrum:http://docs.quantumwise.com/manuals/Types/InelasticTransmissionSpectrum/InelasticTransmissionSpectrum.html) With the saved data loaded as
Code
iets = nlread("....nc", InelasticTransmissionSpectrum)[0]
the methods that return the data that is plotted are
Code
inelasticCurrent
inelasticConductance
elasticCurrent
elasticConductance
inelasticElectronTunnelingSpectroscopy
The bottom plot, with "IETS (1/V)" on the y-axis, simply plots the inelasticElectronTunnelingSpectroscopy / inelasticConductance.