how to read in the result MO from the last calculation?

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Hi, I am trying to do a simple calculation that to read in the result HF molecular orbitals for a new dft calculation. However, I found that the keyword of "vectors output ...." only generate MO vector file at the guess stage, but I wish to store the result MO into the file so that the new step DFT calculation can use it. Do you know how to do it? Thanks very much

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dr.vasim raja

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madical officer result rpsc
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  • Bert Forum:Admin, Forum:Mod, NWChemDeveloper, bureaucrat, sysop
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vectors input .... will do the trick.

Bert


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