TDDFT restart in NWChem 6.1 - bgj get scf dens: could not read mo vectors

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11:09:21 AM PDT - Wed, Jun 27th 2012
Hi Niri, Sorry, the files have since been overwritten when I managed to successfully run the same job again. A bit confused though about the lack of restartability of TDDFT calculations. The NWChem manual says that one of the new things in NWchem 6.1 is a "Proper restart for Davidson procedure in TDDFT", which I assumed meant that TDDFT calculations can now be restarted. Cheers, Martijn