Changing the maxrec parameter

[Lukáš Félix Pašteka]

Dear Molpro developers,

I am trying to use a large basis set and I am running into the error:

"maxrec not big enough in getdefbas"

In older versions of Molpro, it was possible to manually change the maxrec parameter in binput.f, but now only the binaries are distributed. Is there still a way to change the maxrec parameter somewhere?

If not, is there a workaround? I was thinking about a hacky solution by stacking dummy atoms with parts of the basis on top of each other, but it feels improper.

Best

Lukas

[LR]

I am currently encountering the exact same issue (even though the basis set is not that large). Did you by any chance find a workaround?