[molpro-user] About RS2 gradients

Ganglong Cui ganglong.cui at gmail.com
Thu Dec 18 13:55:49 GMT 2014


Dear Madam/Sir:

I am a user of MOLPRO2010. When I use the RS2 module to compute atomic
gradients, the packages always say: TOO MANY ACTIVE ORBITALS: 40 THIS
VERSION ALLOWS 32.

How do I fix this error? Thanks a lot!

Have a nice day, G.L.
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