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Hi Tian,
Thanks very much for your reply. I am currently using the latest version of Mulltiwfn (3.7_dev) and no longer found the addressed issue.
Best wishes,
Vu
Dear Tian,
First of all, thank you very much for developing Multiwfn software because I find it very useful and universal and have recommended it to many of my friends.
I have recently used Multiwfn to create input files for NMR calculations in Gaussian, and then those output files will be submitted to Multiwfn for plotting the iso-chemical-shielding surfaces (ICSS). However, I have faced the same issue that was described by Jacob. I have tried to resolve this issue with the following solutions, but it does not work:
1. Try with different versions of Multiwfn (3.6, 3.6_dev, and 3.7_dev).
2. Try with different settings (low and medium quality settings).
3. Use both Multiwfn versions for Linux and Windows.
and for sure that I have put all .out files in the NICS folder and correctly type the path for the folder. It showed the following message:
" Error: Unable to find either C:\Users\vubaokhanh\Downloads\Multiwfn_3.6_dev_bin_Win64\examples\ICSS\NICS\0001.out or C:\Users\vubaokhanh\Downloads\Multiwfn_3.6_dev_bin_Win64\examples\ICSS\NICS\0001.log
Please input the path again"
Your help is highly appreciated.
Regards,
Vu
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