From owner-chemistry&$at$&ccl.net Fri Feb  4 16:53:00 2011
From: "David Neil Bowman dnbowman|a|ncsu.edu" <owner-chemistry:+:server.ccl.net>
To: CCL
Subject: CCL: Restarting TDDFT calculation in ORCA 2.8
Message-Id: <-43868-110204145850-27133-RSfF1FVInX/bKweCTc2DOA:+:server.ccl.net>
X-Original-From: "David Neil Bowman" <dnbowman-.-ncsu.edu>
Date: Fri, 4 Feb 2011 14:58:49 -0500


Sent to CCL by: "David Neil Bowman" [dnbowman(0)ncsu.edu]
Is it possible to restart an ORCA TDDFT calculation from where the program halted (time limit restrictions forced this) or from a completed calculation with fewer roots? Currently I have only been able to restart with Guess=MORead and MOInp="myfile.gbw" options from the initial optimization calculation.

David Bowman
Graduate Student
North Carolina State University, Chemistry Department