Multiwfn forum / << Matrix diagonalization exceed max cycle before convergence >>

Re: << Matrix diagonalization exceed max cycle before convergence >>

dummy@example.com (icamps) — Tue, 31 Aug 2021 18:45:48 +0000

My system info is in this post: //www.umsyar.com/wfnbbs/viewtopic.php?id=547

Re: << Matrix diagonalization exceed max cycle before convergence >>

dummy@example.com (sobereva) — Tue, 24 Aug 2021 22:10:08 +0000

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.

<< Matrix diagonalization exceed max cycle before convergence >>

dummy@example.com (icamps) — Tue, 24 Aug 2021 19:22:48 +0000

Hello,

I got the error:

Matrix diagonalization exceed max cycle before convergence

How/where can I increase the number of cycles?

Regards,

Camps