Multiwfn forum

may01dz

Member

Registered: 2018-07-17

Posts: 54

Error: Data needed by this function is not presented

Hello,
I’m using the ORCA output as an input for Multiwfn, and, when I want to view the Molecular structure and the orbitals ( option 0), I got the following message error: “Error: Data needed by this function is not presented! Check your input file!”
Which keywords should I add to my ORCA'input file to overcome this issue?

thank you very much.

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,830

Website

Re: Error: Data needed by this function is not presented

ORCA output file cannot be used as input file of Multiwfn for visualizing, since it doesn't provide geometry information to Multiwfn at all. Please carefully check Section 2.5 to understand which file is supported and can be used.

may01dz

Member

Registered: 2018-07-17

Posts: 54

Re: Error: Data needed by this function is not presented

OK, thanks