Stress Tensor forcing SCF Wavefunction Optimization

[Rafael Soler-Crespo]

Hi all,

I'm using the code to print the stresses on a system that I am running. 
Currently, the system has the input file I show below. For some reason, if 
I take off the evaluation of the stress tensor, it proceeds fine and 
carries out one optimization step after the initial SCF Wavefunction 
optimization. However, when I desire to evaluate the stress tensor, it just 
keeps doing SCF Wavefunction optimizations over and over. Could someone 
shed some insight into this?

Could it have to do with me using a numerical form of the stress tensor?

Thanks,
Rafael
=================
INPUT CODE

&FORCE_EVAL
STRESS_TENSOR NUMERICAL
 &DFT
  &QS
   METHOD DFTB
   &DFTB
    SELF_CONSISTENT T
    DO_EWALD     F
    DISPERSION      F
    &PARAMETER
     PARAM_FILE_PATH /home/ras536/dftb_parameter_sets/cp2k/scc/
     PARAM_FILE_NAME parameter_table
     UFF_FORCE_FIELD uff_table
    &END PARAMETER
   &END DFTB
  &END QS
  &SCF
   SCF_GUESS ATOMIC
   MAX_SCF   200
   &OT ON
    LINESEARCH 3PNT
    PRECONDITIONER FULL_SINGLE
   &END OT
  &END SCF
 &END DFT
 &SUBSYS
  &CELL
# Change with the system coordinates
   ABC      21.50 22.14 100 
   PERIODIC XYZ
# End of changes
  &END CELL
  &COORD
# Paste here system coordinates
# End of system coordinates
  &END COORD
 &END SUBSYS
 &PRINT
  &STRESS_TENSOR HIGH
   FILENAME system_stress.log 
    &EACH
     GEO_OPT 1
    &END EACH
  &END STRESS_TENSOR          
 &END PRINT
&END FORCE_EVAL


&GLOBAL
  PROJECT     geo_opt_syst
  RUN_TYPE    GEO_OPT
  PRINT_LEVEL LOW
&END GLOBAL


&MOTION
 &GEO_OPT
  MAX_ITER 1000
 &END GEO_OPT
# Uncomment to allow fixed atoms
 &CONSTRAINT
  &FIXED_ATOMS
   COMPONENTS_TO_FIX X
   LIST 91 100 101 110 111 120 121 130 131 140 141 150 151 160 161 170 171 
180
  &END FIXED_ATOMS
  &FIXED_ATOMS
   COMPONENTS_TO_FIX Y
   LIST 1 2 3 4 5 6 7 8 9 10 171 172 173 174 175 176 177 178 179 180
  &END FIXED_ATOMS
 &END CONSTRAINT
# End of uncomment
&END MOTION
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