Multiwfn forum

Miw

Member

Registered: 2025-01-23

Posts: 2

Atoms change to other atoms.

Dear Prof. Lu

I tried an AIM analysis of a molecule containing selenium and tellurium. Then the selenium atom was recognized as a sulfur atom and the tellurium atom as a carbon atom. What did I do wrong?

I am looking forward to your help.
Thank you so much,
Best regards,
Miw

Last edited by Miw (2025-01-23 17:26:37)

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 2,011

Website

Re: Atoms change to other atoms.

Dear Miw,

Please let me know detailed information about your input file.

Best,

Tian

Miw

Member

Registered: 2025-01-23

Posts: 2

Re: Atoms change to other atoms.

Sorry. This was a misunderstanding due to the colouring of the atoms.
Thank you.