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How to properly utilise sisl to extract information from potential

See original GitHub issue

Good day all, I was wondering in the sisl manual it focuses on extracting the information from RHO.grid.nc files to produce cube files in the following format:

sgrid PG.DeltaRho.grid.nc --geometry zeroPG.XV --diff P.DeltaRho.grid.nc --diff G.DeltaRho.grid.nc diffn.cube

My questions are as follow: 1- Is there a similar format for Electrostatic.grid.nc, TotalPotential.grid.nc, and TotalCharge.grid.nc files? 2- If i am interested only in one direction such as z-axis, how command should I use? 3- What available output formats can be done and how?

Thank you and looking forward to your reply. EL-abed

Issue Analytics

  • State:closed
  • Created 3 years ago
  • Comments:15 (8 by maintainers)

github_iconTop GitHub Comments

1reaction
zerothicommented, Sep 1, 2020

sure 😃

0reactions
zerothicommented, Sep 7, 2020

Please do not re-open an old question with new questions…

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