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Ricc2
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linked runs
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Topic: linked runs (Read 5112 times)
uit
Newbie
Posts: 1
Karma: +0/-0
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
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Last Edit: October 25, 2011, 02:42:57 PM by uit
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uwe
Global Moderator
Hero Member
Posts: 560
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Re: linked runs
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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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TURBOMOLE Users Forum
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TURBOMOLE Modules
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linked runs