Multiwfn forum
Multiwfn official website: http://www.shanxitv.org/multiwfn. Multiwfn forum in Chinese: http://bbs.keinsci.com/wfn. E-mail of admin: sobereva[at]sina.com
You are not logged in.
- Topics: Active | Unanswered
#1 2021-08-24 19:22:48
- icamps
- Member
- Registered: 2018-05-17
- Posts: 30
<< Matrix diagonalization exceed max cycle before convergence >>
Hello,
I got the error:
Matrix diagonalization exceed max cycle before convergence
How/where can I increase the number of cycles?
Regards,
Camps
Offline
#2 2021-08-24 22:10:08
Re: << Matrix diagonalization exceed max cycle before convergence >>
Please provide more information, for example, all commands you inputted in Multiwfn, the character of your system, etc.
Usually, simply increasing maximum number of cycles doesn't solve problem like this.
Offline
#3 2021-08-31 18:45:48
- icamps
- Member
- Registered: 2018-05-17
- Posts: 30
Re: << Matrix diagonalization exceed max cycle before convergence >>
My system info is in this post: http://www.shanxitv.org/wfnbbs/viewtopic.php?id=547
Offline