Multiwfn forum

saeed_E

Member

Registered: 2019-12-21

Posts: 284

There is a problem when ELF colored-filled map is generated

Dear Tian,
I have a structure for which the ELF colored-filled mao is going to be generated (4--->9--->1--->1 (XY plane)). Indeed, the generated picture is larger than that can be fixed between X and Y axes. In other words, some parts of figure are covered by the X and Y axes and, I need to extend these axes so that all parts of figure are evidently seen. If possible, please let me know how I can resolve this problem.

Sincerely,
Saeed

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,927

Website

Re: There is a problem when ELF colored-filled map is generated

Dear Saeed,

Please check Section 4.4 of Multiwfn manual to understand how the actual plotting plane is defined in the main function 4 of Multiwfn.

Best regards,

Tian

saeed_E

Member

Registered: 2019-12-21

Posts: 284

Re: There is a problem when ELF colored-filled map is generated

Dear Tian,
Thank you very much; the problem was resolved in the light of your so valuable guidance.
Indeed, before choosing option 1 (regarding plotting in the XY plane), I should select option 0 (Set extension distance for plane type 1~5, current:) and, slightly increase the current number.

Sincerely,
Saeed