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tfrederiksen / inelastica

Python package for eigenchannels, vibrations and inelastic electron transport based on SIESTA/TranSIESTA DFT
https://tfrederiksen.github.io/inelastica
GNU Lesser General Public License v3.0
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Using the examples of CO/Cu(111) for STMimage #67

Closed bookkiy closed 2 years ago

bookkiy commented 2 years ago

Thank you very much for your reply,but I have a new question. In the examples of CO/Cu(111), after running the command “STM -F 64 -L 87 -n 1 -x 5 -y 5 STM5x5”,I get the STMimage.nc file . The version of Inelastica is 3.0, and transiesta is siesta-MAX-1.2.1. I use the Mathematica notebook of AnalyzeSTMimage.nb to draw the STM images,but when I import the STMimage.nc file,there is no data,I don't khnow where the error is? Please help me to find out the error. The output in Mathematica is shown as below. STMimage And I also upload the STM.txt file which is converted from the STMimage.nc file. STM.txt Thanks again!

tfrederiksen commented 2 years ago

By looking at STM.txt it appears to me that your nc file from Inelastica contains all the required data for visualization. Maybe it is an issue with Mathematica. Which version are you using? Note that Examples/STMimage contains three notebooks for different Mathematica versions.

bookkiy commented 2 years ago

Yes! That' right, it is the problem of Mathematica version, I chose another version of notebook and get the STM image. Thank you much for your time and reply!