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moread error

Jonas Baltrusaitis
jonas-baltrusaitis@uiowa.edu


I am getting this annoying moread error
PREMATURE END OF ORBITAL INPUT ENCOUNTERED
           LOOKING FOR ORBITAL 155 ELEMENT   1
It's bizarre since I simply took msscf PUNCH and plugged calculation setup part above VEC so everything should be there. I checked, all 724 orbitals are there. I did it exactly the same way after cisprop run as a guess and that worked fine, but mcscf guess for mcscf calculation can;t be read for some reason. So, it aborts, could anybody explain why?

thanks

Jonas

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[ This message was edited on Sat Sep 24 '11 at 10:20pm by the author ]


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