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Thank you very much that you replied inspite of your busy schedule...
Regards,
Shyama
Thank you very much for your quick reply Professor. I would like to ask you one more thing that whether Hirshfeld atomic charge could be used instead of NPA charges for comparison ??
Hello,
I am new user of Multiwfn software. I would like to calculate NPA charges for my chemical systems with different spin multiplicities. I am using orca for my calculations. What I have to do to get the NPA charges from orca files using Multiwfn software. As I am a very new user to Multiwfn software, could you please tell me the procedure in a detailed way.
Regards,
Shyama
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