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TDDFT problem using NWCHEM 6.1

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  • Niri Forum:Admin, Forum:Mod, NWChemDeveloper, bureaucrat, sysop
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Dear Davide,

I will look into this. It's possible the Davidson restarts that we implemented in this release has affected something. But I assure you the calculated excitations are fine if you don't encounter this problem.

Best regards,
-Niri


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