Multiwfn forum / complete basis set calculations

Re: complete basis set calculations

dummy@example.com (sobereva) — Wed, 01 Mar 2023 10:37:38 +0000

quickCBS just yields Gaussian input files, rather than directly invoking Gaussian, therefore there is no incompatibility problem.

dummy@example.com (venkat7519) — Wed, 01 Mar 2023 07:45:54 +0000

Thank you for the quick reply. But the code is not working for G16. Is there any way to change the alpha and beta parameters?

dummy@example.com (sobereva) — Wed, 01 Mar 2023 07:24:47 +0000

If you are a Gaussian user, you can use my code quickCBS (http://www.shanxitv.org/soft/quickCBS/) to facilitate performing CBS extrapolation.

dummy@example.com (venkat7519) — Wed, 01 Mar 2023 07:12:32 +0000

Is there any program to compute the complete basis set (CBS) energy ?