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libAtoms / QUIP

libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io
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gap_si_surface.ipynb: runtime error about dftb-params.xml #639

Closed Mu-Jinming closed 5 months ago

Mu-Jinming commented 5 months ago 
RuntimeError: Traceback (most recent call last)
  File "/project/src/libAtoms/System.f95", line 540 kind unspecified
    IO error opening "dftb-params.xml" on unit 7, error number: 2

Dear developer, I have reviewed the related issues, and it appears that the file "dftb-params.xml" is missing. Could you please send it to my email: 390400239@qq.com or mujinming123@gmail.com

Thanks a lot!

gabor1 commented 5 months ago

done