CONVERGENCY CRITERIA FULFILLED IN CYCLE 8

 energy change  : actual value =  -0.2023E-06 threshold =   0.1000E-05
 geom. gradient : actual value =   0.1173E-03 threshold =   0.1000E-02

Job ended at   Mon Jul 30 18:19:24 EDT 2007
  on machine     wooki
  by user        crowley
  in directory   /home/crowley/cclib/turbomole/data/Turbomole/basicTurbomole/dvb_gopt
  
job.start file had been created with details about the job type: 

Mon Jul 30 18:17:53 EDT 2007
jobex WAS CALLED AS: jobex
AN OPTIMIZATION WITH MAX. 20 CYCLES WILL BE PERFORMED
CONVERGENCY CRITERION FOR TOTAL SCF-ENERGY IS 10**(-6)
CONVERGENCY CRITERION FOR MAXIMUM NORM OF SCF-ENERGY GRADIENT IS 10**(-3)
CONVERGENCY CRITERION FOR MAXIMUM NORM OF BASIS SET GRADIENT IS 10**(-3)
PROCEDURE WILL START WITH A dscf like STEP
LOAD MODULES WILL BE TAKEN FROM DIRECTORY /home/program/CHEMISTRY/turbomole/TURBOMOLE-5.9/bin/x86_64-unknown-linux-gnu
DSCF  = /home/program/CHEMISTRY/turbomole/TURBOMOLE-5.9/bin/x86_64-unknown-linux-gnu/dscf
GRAD  = /home/program/CHEMISTRY/turbomole/TURBOMOLE-5.9/bin/x86_64-unknown-linux-gnu/grad
RELAX = /home/program/CHEMISTRY/turbomole/TURBOMOLE-5.9/bin/x86_64-unknown-linux-gnu/relax

