linked runs

Started by uit, October 25, 2011, 01:25:08 PM

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uit

October 25, 2011, 01:25:08 PM Last Edit: October 25, 2011, 02:42:57 PM by uit
Is it possible to run a scf calculation "linked" with the following rimpd/ricc2 calculation (i.e specified in the same control file) or do I have to run the scf calculation first? The manual comes out unclear on this point.

Regards

Espen

uwe

#1
October 31, 2011, 10:34:49 AM
Hi,

you can prepare the input first and then run all modules (dscf or ridft, ricc2, ...) in one job.

Regards,

Uwe
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