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#1 2021-08-24 19:22:48
- icamps
- Member
- Registered: 2018-05-17
- Posts: 33
<< 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
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#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.
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#3 2021-08-31 18:45:48
- icamps
- Member
- Registered: 2018-05-17
- Posts: 33
Re: << Matrix diagonalization exceed max cycle before convergence >>
My system info is in this post: http://sobereva.com/wfnbbs/viewtopic.php?id=547
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