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#1 2021-11-05 07:54:00
- rkia
- Member
- Registered: 2021-02-28
- Posts: 15
2D ELF + AIM
Dear Prof. Lu,
Is there any possibility in multiwfn to combine the results of AIM and two dimensional ELF data together in one picture. I know how to combine 3D ELF data + NCI.
Kind regards,
Reza
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#2 2021-11-05 09:24:53
Re: 2D ELF + AIM
Dear Reza,
First, perform AIM topology analysis via main function 2 to locate critical points (see Section 4.2 of manual for examples). Then return to main menu, and plot ELF plane map in usual way (see Section 4.4 for example), the position of critical points will be directly visible on the resulting map by default.
Example: (AIM critical points on contour line map of ELF for benzene)
There is also a relevant example in Section 4.4.6 of Multiwfn manual.
Best regards,
Tian
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