| 9:55:12 AM PDT - Thu, Sep 5th 2013 |
|
Hi Geoff,
As far as I can remember this should be automatic. If you run an SCF calculation and save the movecs with the "vectors output" directive (see http://nwchemgit.github.io/index.php/Release62:Hartree-Fock_Theory_for_Molecules#VECTORS_--_...), then when you run another SCF calculation in a larger basis set and use "vectors input" to pick the movecs from the smaller calculation up. At that point NWChem should automatically perform this projection to create the start vectors.
Huub
|