Using precomputed MO vectors

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Yavuz

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Oct 8, 2020, 6:48:10 PM10/8/20
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Hi

I am trying to use previously computed MO vectors for a calculation.
I basically want to skip the scf step of the calculation and force the NWChem to use precomputed MO vectors.  
I already tried the following keyword for the purpose;  
vectors input initial.movecs
However, the scf step still took place and MO vectors re-calculated.  
is there anything I am missing here ? is there any way to achieve the purpose ? 

Thanks 

Edoardo Aprà

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Oct 8, 2020, 6:52:09 PM10/8/20
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You need to supply the noscf keyword to calculate  non self-consistent energy for a set of input vectors

Yavuz

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Oct 8, 2020, 7:47:59 PM10/8/20
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Thanks a lot. Indeed, adding the noscf keyword solved the problem. 
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