Setting number of MOs upon restart

Christopher O'Brien cjobr... at
Mon Jul 20 03:55:03 UTC 2015

I am attempting to restart a MD run using the wave function restart file. I 
can't figure out how to determine the number of MOs needed by the restart 
file nor how to allocate them. I am using the UKS setting with the option 
to change multiplicity (since I am modeling a reaction) and the OT scheme. 
Is it possible to allocate extra MOs in the OT scheme at all?

The error received right upon restart is:

*** 21:33:55 ERRORL2 in qs_mo_types:read_mos_restart_low processor 0 :: *** 

*** err=-300 Number of occupied MOs on restart unit larger than allocated 

*** MOs. qs_mo_types.F line 1735 *** 

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