From owner-chemistry@ccl.net Sat Mar 26 21:46:01 2016
From: "Federico Javier Hernandez federico2099||gmail.com" <owner-chemistry#server.ccl.net>
To: CCL
Subject: CCL: Problems with a TD RO-CAM-B3LYP single point calculation
Message-Id: <-52123-160326200258-16366-Czqsf6f/SsQTULyy08p/Mg#server.ccl.net>
X-Original-From: "Federico Javier Hernandez" <federico2099+*+gmail.com>
Date: Sat, 26 Mar 2016 20:02:47 -0400


Sent to CCL by: "Federico Javier Hernandez" [federico2099..gmail.com]
Does anyone know about the "OrtVc1 failed #1. Error termination via Lnk1e in 
/usr/local/g09/l914.exe" from a TD-DFT ROCAM-B3LYP calculation?

I am trying to optimise the wavefunction in the third excited state using the 
rocam-b3lyp/aug-cc-pvdz level of theory and I get this output error:

Convergence on wavefunction: 0.001000000000000
*** WARNING: Number of orthogonal guesses is 2
Iteration 1 Dimension 2 NMult 2
Vector 1 SDiff=1.00D+00 TDiff=1.00D+00 assumed to be singlet.
Vector 2 SDiff=1.00D+00 TDiff=1.00D+00 assumed to be triplet.
CISAX will form 2 AO SS matrices at one time.
FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=T KAlg= 1 I1Cent= 0 FoldK=F
FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=T KAlg= 1 I1Cent= 0 FoldK=F
OrtVc1: Ph=1 IOff= 0 IPass=20 DotMx1= 1.68D-03
OrtVc1: Ph=1 M= 2110 NPass=20 Test1= 1.00D+00 Small= 2.11D-09 VSmall= 1.00D-12
OrtVc1 failed #1.
Error termination via Lnk1e in /usr/local/g09/l914.exe at Fri Mar 25 18:32:06 
2016.

Thank you in advance.

Federico