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Author Topic: linked runs  (Read 4735 times)

uit

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linked runs
« on: October 25, 2011, 01:25:08 PM »
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
« Last Edit: October 25, 2011, 02:42:57 PM by uit »
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uwe

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Re: linked runs
« Reply #1 on: 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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