Author Topic: RASPA visualization (Density Plot)  (Read 568 times)


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RASPA visualization (Density Plot)
« on: July 30, 2022, 03:44:59 PM »
Hi Prof. Dubbeldam

I hope you are doing well.

when I am trying to run example of density plot in the file (RASPA/examples/Visualization/UnitCell/Density/ERI) from your official github code, I found that the simulated results is not the same as your results written from your official document in Page 171.

Could you help to solve my problem?

I am looking forward to your reply.