[molpro-user] How to Avoid 'ERROR IN VIRTORB: INCORRECT NUMBER OF ORBITALS' without using start, atden

Sachin D Yeole syeole at purdue.edu
Thu Mar 5 16:00:36 GMT 2015

Dear MOLPRO Team : 
I am new to the MOLPRO but the scripting feature has helped a lot to get adapted to the program.

I am trying a series of single point calculation in a loop each one starting with orbitals from previous step. 
This is working for initial 2-3 steps but after that it gives the error "INCORRECT NUMBER OF ORBITALS".
As per the MOLPRO manual this can be corrected by starting HF calculation independently using start,atden.

But my question is there is any way that this error can be avoided or ignored. Because in my case I need to start with previous 
orbitals. I tried using orbtal,nocheck but it was of no help. 

Can someone please suggest a solution for this.


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