Multiwfn forum

Multiwfn official website: //www.umsyar.com/multiwfn. Multiwfn forum in Chinese: http://bbs.keinsci.com/wfn

You are not logged in.

#12022-10-05 23:47:06

natanluiz86
Member
Registered: 2022-10-05
Posts: 2

I can't create fragments for MO-DOS

I'm trying to plot MO-DOS graphs from various systems and every time I try to create fragments the program crashes. I did all the instructions in the installation manual and even then I can't create the fragments on both linux and windows


Whats-App-Image-2022-10-05-at-20-43-05.jpg

Whats-App-Image-2022-10-05-at-20-39-31.jpg

Offline

#22022-10-06 02:10:31

sobereva
Tian Lu (Multiwfn developer)
From: Beijing
Registered: 2017-09-11
Posts: 1,773
Website

Re: I can't create fragments for MO-DOS

Which input file did you use? Please show me more information.

Offline

#32022-10-06 21:29:23

natanluiz86
Member
Registered: 2022-10-05
Posts: 2

Re: I can't create fragments for MO-DOS

I'm using gaussian 09 .log files with the keywords B3LYP/GEN gfinput iop(6/7=3) pop=full scf=(maxcycle=200,conver=6)

Offline

#42022-10-06 23:45:04

sobereva
Tian Lu (Multiwfn developer)
From: Beijing
Registered: 2017-09-11
Posts: 1,773
Website

Re: I can't create fragments for MO-DOS

Please use .fch file instead currently, in next release I will fix it

Offline

Board footer

Baidu
map