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Any NICSall errors or questions here #1

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HumanOsv opened this issue May 1, 2021 · 1 comment
Open

Any NICSall errors or questions here #1

HumanOsv opened this issue May 1, 2021 · 1 comment

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@HumanOsv
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HumanOsv commented May 1, 2021

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@vubaokhanhkieu
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Great project!
However, I found it difficult to link NBO6.0 to the Gaussian 16 program to run NICSall. I have the NBO6.0 standalone package, and I do not know how to direct Gaussian 16 to activate that NBO6.0 standalone program. So, could you please advise me how I can link NBO6.0 to Gaussian 16?
Or can I replace NBO6.0 by NBO3.0? because NBO3.0 is integrated inside Gaussian 16.
Is there any way to extract data from the output of NBO6.0 standalone package and submit it to NICSall?
Thank you very much and have a nice day.

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@HumanOsv @vubaokhanhkieu