QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: bubble on July 12, 2016, 02:34

Title: 2016.r1 can not export data for IETS
Post by: bubble 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

Title: Re: 2016.r1 can not export data for IETS
Post by: Jess Wellendorff 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 (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.