Multiwfn official website: http://sobereva.com/multiwfn. Multiwfn forum in Chinese: http://bbs.keinsci.com/wfn
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Dear Dr. Tian,
Thank you for your kind and thorough response! I will modify the source code as you have suggested to create this utility. Once again I appreciate your fast response and your in-depth description of suggested modifications.
Best,
Augusta
Dear Dr. Tian,
Firstly, thank you for all the work you put in for producing Multiwfn, I have used many of its utilities in the past and found it very helpful! I am currently working on a project that requires the generation of electric quadrupole values between excited states similarly to how they are produced using the 18 > 5 settings for electric/magnetic dipoles (3.21.5 in the manual). Is there any way to do this with the current version of Multiwfn, and if not is there any possibility of you implementing this in the future? I appreciate any help you can provide regarding this matter, and once again thank you for the continued development of this program.
Best,
Augusta
Pages: 1