CONVERGENCY CRITERIA FULFILLED IN CYCLE 6

 energy change  : actual value =  -0.4450E-07 threshold =   0.1000E-05
 geom. gradient : actual value =   0.6798E-04 threshold =   0.1000E-02

Job ended at   Tue 29 Dec 15:20:06 GMT 2020
  on machine     kennedy26
  by user        osl
  in directory   /gpfs1/scratch/tmp/osl/273322/Output
  
job.start file had been created with details about the job type: 

Tue 29 Dec 15:19:54 GMT 2020
jobex WAS CALLED AS: jobex -level scf -c 100 -keep
AN OPTIMIZATION WITH MAX. 100 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 /gpfs1/apps/software/TURBOMOLE//bin/em64t-unknown-linux-gnu_smp
DSCF  = /gpfs1/apps/software/TURBOMOLE//bin/em64t-unknown-linux-gnu_smp/dscf
GRAD  = /gpfs1/apps/software/TURBOMOLE//bin/em64t-unknown-linux-gnu_smp/grad
STATPT = /gpfs1/apps/software/TURBOMOLE//bin/em64t-unknown-linux-gnu_smp/statpt

