CCL: Restarting TDDFT calculation in ORCA 2.8
- From: "David Neil Bowman"
<dnbowman-.-ncsu.edu>
- Subject: CCL: Restarting TDDFT calculation in ORCA 2.8
- 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