Using the examples of CO/Cu(111) for STMimage

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 #69

Closed qiezi00 closed 1 year ago

qiezi00 commented 1 year ago

Dear all, I am experiencing an issue with the CO/Cu(111) examples. Specifically, after executing the command "STM -F 64 -L 87 -n 1 -x 1 -y 1 STM1x1", the calculation seems to get stuck at the ''Mode propagation starts'' stage and does not proceed any further. I have not received any error messages or warnings. Could you please advise me on what steps I can take to resolve this issue? Thank you very much! I am looking forward to your reply.

qiezi00 commented 1 year ago

I apologize for the inconvenience. The problem has been resolved. I realized that I forgot to install Scipy, after installing it, everything is working properly now.

tfrederiksen commented 1 year ago

No worries, thanks for your interest in Inelastica.