Intel(R) Parallel Studio XE 2018 for Linux*
Copyright (C) 2009-2017 Intel Corporation. All rights reserved.
=========================================================
SLURM job: submitted date = Wed 2 Sep 12:05:04 BST 2020
Executable file:
MPI parallel job.
-------------
Job output begins
-----------------

node034.pri.barkla.alces.network
Print the following environmetal variables:
Job name                     : STO-SNO
Job ID                       : 33953300
Job user                     : msd30
Job array index              : 
Submit directory             : /mnt/lustre/users/msd30/Projects/TCCs/CorrelatedMetals/SrTiO3-SrNbO3/SCAN/6-6/PDOS/24x24x1
Temporary directory          : /tmp
Submit host                  : login2.pri.barkla.alces.network
Queue/Partition name         : rosseinsky
Node list                    : node[034-035,037,112]
Hostname of 1st node         : node034.pri.barkla.alces.network
Number of nodes allocated    : 4 or 4
Number of processes          : 160
Number of processes per node : 40(x4)
Requested tasks per node     : 
Requested CPUs per task      : 
Scheduling priority          : 0
Running parallel job:
 running on  160 total cores
 distrk:  each k-point on  160 cores,    1 groups
 distr:  one band on   10 cores,   16 groups
 using from now: INCAR     
 vasp.5.4.4.18Apr17-6-g9f103f2a35 (build Feb 01 2018 10:38:23) complex          
  
 POSCAR found type information on POSCAR  Nb O  Sr Ti
 POSCAR found :  4 types and      62 ions
 scaLAPACK will be used

 ----------------------------------------------------------------------------- 
|                                                                             |
|           W    W    AA    RRRRR   N    N  II  N    N   GGGG   !!!           |
|           W    W   A  A   R    R  NN   N  II  NN   N  G    G  !!!           |
|           W    W  A    A  R    R  N N  N  II  N N  N  G       !!!           |
|           W WW W  AAAAAA  RRRRR   N  N N  II  N  N N  G  GGG   !            |
|           WW  WW  A    A  R   R   N   NN  II  N   NN  G    G                |
|           W    W  A    A  R    R  N    N  II  N    N   GGGG   !!!           |
|                                                                             |
|      For LVTOT=.TRUE. VASP.5.x writes the TOTAL local potential to          |
|      the file LOCPOT. If you want the Hartree contributions only, use       |
|      LVHAR=.TRUE. instead.                                                  |
|                                                                             |
 ----------------------------------------------------------------------------- 


 ----------------------------------------------------------------------------- 
|                                                                             |
|  ADVICE TO THIS USER RUNNING 'VASP/VAMP'   (HEAR YOUR MASTER'S VOICE ...):  |
|                                                                             |
|      You have a (more or less) 'large supercell' and for larger cells       |
|      it might be more efficient to use real space projection opertators     |
|      So try LREAL= Auto  in the INCAR   file.                               |
|      Mind:          For very  accurate calculation you might also keep the  |
|      reciprocal projection scheme          (i.e. LREAL=.FALSE.)             |
|                                                                             |
 ----------------------------------------------------------------------------- 


 ----------------------------------------------------------------------------- 
|                                                                             |
|  ADVICE TO THIS USER RUNNING 'VASP/VAMP'   (HEAR YOUR MASTER'S VOICE ...):  |
|                                                                             |
|      You enforced a specific xc-type in the INCAR file,                     |
|      a different type was found on the POTCAR file                          |
|          I HOPE YOU KNOW, WHAT YOU ARE  DOING                               |
|                                                                             |
 ----------------------------------------------------------------------------- 

 LDA part: xc-table for Pade appr. of Perdew
 POSCAR, INCAR and KPOINTS ok, starting setup
 FFT: planning ...
 WAVECAR not read
 entering main loop
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1     0.425963288693E+04    0.42596E+04   -0.27450E+05 56160   0.173E+03
DAV:   2    -0.178877854810E+04   -0.60484E+04   -0.58119E+04 65888   0.547E+02
DAV:   3    -0.264951044307E+04   -0.86073E+03   -0.85160E+03 78560   0.204E+02
DAV:   4    -0.272930239108E+04   -0.79792E+02   -0.79187E+02 97200   0.611E+01
DAV:   5    -0.273767868143E+04   -0.83763E+01   -0.83039E+01 95856   0.135E+01
DAV:   6    -0.273826486465E+04   -0.58618E+00   -0.55752E+00 96848   0.432E+00
DAV:   7    -0.273834210827E+04   -0.77244E-01   -0.69716E-01 94816   0.921E-01
DAV:   8    -0.273836404105E+04   -0.21933E-01   -0.19915E-01 94656   0.235E-01    0.877E+01
DAV:   9    -0.245320887327E+04    0.28516E+03   -0.44204E+02 81440   0.610E+01    0.422E+01
DAV:  10    -0.246220758915E+04   -0.89987E+01   -0.13891E+02 79808   0.258E+01    0.322E+01
DAV:  11    -0.245737895612E+04    0.48286E+01   -0.27368E+01 81376   0.151E+01    0.152E+01
DAV:  12    -0.245816549039E+04   -0.78653E+00   -0.24907E+01 83216   0.949E+00    0.848E+00
DAV:  13    -0.245662750124E+04    0.15380E+01   -0.10606E+01 76496   0.609E+00    0.452E+00
DAV:  14    -0.245648942674E+04    0.13807E+00   -0.22068E+00 79328   0.298E+00    0.315E+00
DAV:  15    -0.245643178178E+04    0.57645E-01   -0.12150E+00 81376   0.193E+00    0.214E+00
DAV:  16    -0.245635208499E+04    0.79697E-01   -0.60835E-01 76480   0.161E+00    0.129E+00
DAV:  17    -0.245629521993E+04    0.56865E-01   -0.19268E-01 82528   0.923E-01    0.651E-01
DAV:  18    -0.245627133211E+04    0.23888E-01   -0.73089E-02 80128   0.552E-01    0.584E-01
DAV:  19    -0.245624094054E+04    0.30392E-01   -0.27184E-02 75712   0.342E-01    0.434E-01
DAV:  20    -0.245619306050E+04    0.47880E-01   -0.23728E-02 64448   0.475E-01    0.386E-01
DAV:  21    -0.245616567085E+04    0.27390E-01   -0.13198E-02 79872   0.294E-01    0.304E-01
DAV:  22    -0.245614061775E+04    0.25053E-01   -0.80641E-03 64784   0.239E-01    0.286E-01
DAV:  23    -0.245607736402E+04    0.63254E-01   -0.29505E-02 63296   0.485E-01    0.258E-01
DAV:  24    -0.245604436505E+04    0.32999E-01   -0.20744E-02 68992   0.333E-01    0.244E-01
DAV:  25    -0.245603231802E+04    0.12047E-01   -0.69464E-03 80064   0.204E-01    0.217E-01
DAV:  26    -0.245601250965E+04    0.19808E-01   -0.49704E-03 64400   0.166E-01    0.176E-01
DAV:  27    -0.245598394832E+04    0.28561E-01   -0.74151E-03 60240   0.204E-01    0.179E-01
DAV:  28    -0.245596938153E+04    0.14567E-01   -0.47002E-03 80432   0.156E-01    0.157E-01
DAV:  29    -0.245594251682E+04    0.26865E-01   -0.93546E-03 65392   0.233E-01    0.167E-01
DAV:  30    -0.245593376538E+04    0.87514E-02   -0.38059E-03 70256   0.138E-01    0.120E-01
DAV:  31    -0.245592590574E+04    0.78596E-02   -0.19532E-03 75072   0.853E-02    0.109E-01
DAV:  32    -0.245592016047E+04    0.57453E-02   -0.73225E-04 63616   0.769E-02    0.101E-01
DAV:  33    -0.245591319860E+04    0.69619E-02   -0.20524E-03 60672   0.731E-02    0.106E-01
DAV:  34    -0.245591277565E+04    0.42295E-03   -0.35402E-04 57472   0.421E-02    0.101E-01
DAV:  35    -0.245591224358E+04    0.53207E-03   -0.43857E-05 54736   0.127E-02    0.101E-01
DAV:  36    -0.245591187280E+04    0.37079E-03   -0.13633E-05 38576   0.972E-03    0.102E-01
DAV:  37    -0.245591228454E+04   -0.41174E-03   -0.29816E-05 43120   0.145E-02    0.103E-01
DAV:  38    -0.245590964758E+04    0.26370E-02   -0.22672E-04 48496   0.240E-02    0.110E-01
DAV:  39    -0.245590778560E+04    0.18620E-02   -0.30942E-04 52240   0.325E-02    0.107E-01
DAV:  40    -0.245590726159E+04    0.52401E-03   -0.11289E-04 45328   0.157E-02    0.108E-01
DAV:  41    -0.245590645700E+04    0.80459E-03   -0.42133E-05 41984   0.110E-02    0.110E-01
DAV:  42    -0.245590047679E+04    0.59802E-02   -0.44486E-04 54176   0.505E-02    0.103E-01
DAV:  43    -0.245587809581E+04    0.22381E-01   -0.72674E-02 62624   0.167E-01    0.360E-01
DAV:  44    -0.245587687898E+04    0.12168E-02   -0.68665E-03 66656   0.128E-01    0.352E-01
DAV:  45    -0.245587777507E+04   -0.89610E-03   -0.35571E-03 71568   0.806E-02    0.340E-01
DAV:  46    -0.245587841061E+04   -0.63554E-03   -0.87660E-03 60304   0.111E-01    0.311E-01
DAV:  47    -0.245587741869E+04    0.99192E-03   -0.17702E-02 64256   0.158E-01    0.143E-01
DAV:  48    -0.245587776546E+04   -0.34676E-03   -0.10465E-02 72960   0.877E-02    0.197E-01
DAV:  49    -0.245587501153E+04    0.27539E-02   -0.18106E-02 59296   0.121E-01    0.807E-02
DAV:  50    -0.245586770563E+04    0.73059E-02   -0.12847E-02 66544   0.206E-01    0.208E-01
DAV:  51    -0.245586800525E+04   -0.29962E-03   -0.11373E-02 69360   0.923E-02    0.115E-01
DAV:  52    -0.245586478556E+04    0.32197E-02   -0.33719E-03 57696   0.731E-02    0.950E-02
DAV:  53    -0.245586022257E+04    0.45630E-02   -0.86167E-03 61184   0.131E-01    0.102E-01
DAV:  54    -0.245585387266E+04    0.63499E-02   -0.14340E-02 61488   0.150E-01    0.925E-02
DAV:  55    -0.245585325064E+04    0.62202E-03   -0.94554E-03 65632   0.145E-01    0.103E-01
DAV:  56    -0.245584454265E+04    0.87080E-02   -0.21932E-02 62464   0.117E-01    0.975E-02
DAV:  57    -0.245584377104E+04    0.77161E-03   -0.14237E-03 62720   0.690E-02    0.917E-02
DAV:  58    -0.245584357306E+04    0.19799E-03   -0.15834E-04 53296   0.226E-02    0.913E-02
DAV:  59    -0.245584311417E+04    0.45889E-03   -0.13128E-04 49456   0.250E-02    0.888E-02
DAV:  60    -0.245584218303E+04    0.93114E-03   -0.10457E-03 52464   0.316E-02    0.991E-02
DAV:  61    -0.245584085275E+04    0.13303E-02   -0.46258E-04 53424   0.366E-02    0.921E-02
DAV:  62    -0.245583991093E+04    0.94182E-03   -0.13869E-03 53280   0.341E-02    0.113E-01
DAV:  63    -0.245583580703E+04    0.41039E-02   -0.18293E-03 59360   0.416E-02    0.867E-02
DAV:  64    -0.245583564721E+04    0.15981E-03   -0.15682E-02 63760   0.557E-02    0.176E-01
DAV:  65    -0.245582852500E+04    0.71222E-02   -0.95478E-03 60672   0.623E-02    0.955E-02
DAV:  66    -0.245582422597E+04    0.42990E-02   -0.27445E-03 61376   0.728E-02    0.730E-02
DAV:  67    -0.245582290881E+04    0.13172E-02   -0.76991E-04 64848   0.559E-02    0.613E-02
DAV:  68    -0.245582337013E+04   -0.46132E-03   -0.30201E-03 60112   0.420E-02    0.696E-02
DAV:  69    -0.245582326338E+04    0.10675E-03   -0.83765E-03 56256   0.449E-02    0.582E-02
DAV:  70    -0.245582425556E+04   -0.99217E-03   -0.37203E-03 54896   0.497E-02    0.302E-02
DAV:  71    -0.245582435832E+04   -0.10277E-03   -0.95921E-04 56432   0.986E-02    0.237E-02
DAV:  72    -0.245582482738E+04   -0.46906E-03   -0.22508E-03 54528   0.563E-02    0.392E-02
DAV:  73    -0.245582509819E+04   -0.27081E-03   -0.72221E-04 54832   0.611E-02    0.251E-02
DAV:  74    -0.245582513394E+04   -0.35751E-04   -0.51818E-04 54176   0.479E-02    0.154E-02
DAV:  75    -0.245582513618E+04   -0.22469E-05   -0.28538E-04 50032   0.325E-02    0.144E-02
DAV:  76    -0.245582515227E+04   -0.16086E-04   -0.26719E-04 48352   0.240E-02    0.648E-03
DAV:  77    -0.245582515837E+04   -0.60979E-05   -0.69776E-04 52192   0.523E-02    0.279E-03
DAV:  78    -0.245582521874E+04   -0.60372E-04   -0.55437E-04 51664   0.484E-02    0.235E-03
DAV:  79    -0.245582520601E+04    0.12735E-04   -0.43297E-04 49968   0.333E-02    0.427E-03
DAV:  80    -0.245582521259E+04   -0.65877E-05   -0.40123E-04 48976   0.306E-02    0.164E-03
DAV:  81    -0.245582522559E+04   -0.12996E-04   -0.48622E-04 48992   0.343E-02    0.303E-03
DAV:  82    -0.245582522993E+04   -0.43426E-05   -0.45326E-04 48912   0.325E-02    0.218E-03
DAV:  83    -0.245582522333E+04    0.66008E-05   -0.43535E-04 48832   0.312E-02    0.131E-03
DAV:  84    -0.245582522064E+04    0.26878E-05   -0.41903E-04 48848   0.316E-02    0.930E-04
DAV:  85    -0.245582522755E+04   -0.69115E-05   -0.42828E-04 48080   0.310E-02    0.130E-03
DAV:  86    -0.245582522525E+04    0.23026E-05   -0.42149E-04 48144   0.306E-02    0.566E-04
DAV:  87    -0.245582522716E+04   -0.19114E-05   -0.40916E-04 48096   0.301E-02    0.795E-04
DAV:  88    -0.245582522301E+04    0.41542E-05   -0.39106E-04 47952   0.297E-02    0.335E-04
DAV:  89    -0.245582522820E+04   -0.51942E-05   -0.39510E-04 47968   0.297E-02    0.370E-04
DAV:  90    -0.245582522360E+04    0.46019E-05   -0.39203E-04 47968   0.294E-02    0.257E-04
DAV:  91    -0.245582522825E+04   -0.46505E-05   -0.39223E-04 47904   0.293E-02    0.327E-04
DAV:  92    -0.245582522357E+04    0.46854E-05   -0.39151E-04 47872   0.292E-02    0.363E-04
DAV:  93    -0.245582522829E+04   -0.47261E-05   -0.39247E-04 47856   0.291E-02    0.269E-04
DAV:  94    -0.245582522386E+04    0.44298E-05   -0.39415E-04 47824   0.291E-02    0.274E-04
DAV:  95    -0.245582522795E+04   -0.40827E-05   -0.39059E-04 47808   0.288E-02    0.240E-04
DAV:  96    -0.245582522403E+04    0.39129E-05   -0.39218E-04 47792   0.289E-02    0.230E-04
DAV:  97    -0.245582522746E+04   -0.34265E-05   -0.38623E-04 47776   0.286E-02    0.212E-04
DAV:  98    -0.245582522391E+04    0.35474E-05   -0.38501E-04 47696   0.287E-02    0.172E-04
DAV:  99    -0.245582522678E+04   -0.28631E-05   -0.37740E-04 47648   0.283E-02    0.185E-04
DAV: 100    -0.245582522365E+04    0.31297E-05   -0.37451E-04 47568   0.283E-02    0.150E-04
DAV: 101    -0.245582522619E+04   -0.25491E-05   -0.36801E-04 47520   0.280E-02    0.191E-04
DAV: 102    -0.245582522341E+04    0.27859E-05   -0.36500E-04 47472   0.280E-02    0.144E-04
DAV: 103    -0.245582522576E+04   -0.23464E-05   -0.36087E-04 47456   0.278E-02    0.177E-04
DAV: 104    -0.245582522331E+04    0.24456E-05   -0.35878E-04 47408   0.278E-02    0.148E-04
DAV: 105    -0.245582522544E+04   -0.21286E-05   -0.35684E-04 47392   0.277E-02    0.170E-04
DAV: 106    -0.245582522341E+04    0.20278E-05   -0.35653E-04 47376   0.277E-02    0.157E-04
DAV: 107    -0.245582522526E+04   -0.18544E-05   -0.35669E-04 47376   0.277E-02    0.170E-04
DAV: 108    -0.245582522368E+04    0.15855E-05   -0.35772E-04 47376   0.277E-02    0.185E-04
DAV: 109    -0.245582522518E+04   -0.14977E-05   -0.35945E-04 47376   0.278E-02    0.183E-04
DAV: 110    -0.245582522411E+04    0.10684E-05   -0.36197E-04 47376   0.278E-02    0.213E-04
DAV: 111    -0.245582522530E+04   -0.11907E-05   -0.36661E-04 47376   0.279E-02    0.202E-04
DAV: 112    -0.245582522474E+04    0.56170E-06   -0.37124E-04 47376   0.280E-02    0.226E-04
DAV: 113    -0.245582522571E+04   -0.96789E-06   -0.37932E-04 47376   0.282E-02    0.221E-04
DAV: 114    -0.245582522544E+04    0.26495E-06   -0.38409E-04 47376   0.283E-02    0.214E-04
DAV: 115    -0.245582522618E+04   -0.73812E-06   -0.39307E-04 47376   0.286E-02    0.211E-04
DAV: 116    -0.245582522587E+04    0.30591E-06   -0.39437E-04 47376   0.285E-02    0.187E-04
DAV: 117    -0.245582522649E+04   -0.61837E-06   -0.40169E-04 47376   0.288E-02    0.199E-04
DAV: 118    -0.245582522599E+04    0.49720E-06   -0.39892E-04 47376   0.286E-02    0.168E-04
DAV: 119    -0.245582522659E+04   -0.60010E-06   -0.40422E-04 47376   0.289E-02    0.194E-04
DAV: 120    -0.245582522591E+04    0.68422E-06   -0.39928E-04 47376   0.286E-02    0.152E-04
DAV: 121    -0.245582522660E+04   -0.68802E-06   -0.40330E-04 47376   0.289E-02    0.191E-04
DAV: 122    -0.245582522573E+04    0.86379E-06   -0.39745E-04 47376   0.285E-02    0.155E-04
DAV: 123    -0.245582522649E+04   -0.75889E-06   -0.40044E-04 47376   0.288E-02    0.194E-04
DAV: 124    -0.245582522552E+04    0.96870E-06   -0.39427E-04 47376   0.285E-02    0.149E-04
DAV: 125    -0.245582522639E+04   -0.86691E-06   -0.39709E-04 47344   0.287E-02    0.198E-04
DAV: 126    -0.245582522535E+04    0.10398E-05   -0.39138E-04 47328   0.284E-02    0.149E-04
DAV: 127    -0.245582522624E+04   -0.88972E-06   -0.39359E-04 47328   0.286E-02    0.206E-04
DAV: 128    -0.245582522517E+04    0.10689E-05   -0.38788E-04 47328   0.282E-02    0.148E-04
DAV: 129    -0.245582522613E+04   -0.95960E-06   -0.39053E-04 47312   0.285E-02    0.211E-04
DAV: 130    -0.245582522503E+04    0.10970E-05   -0.38516E-04 47280   0.281E-02    0.149E-04
DAV: 131    -0.245582522599E+04   -0.95999E-06   -0.38746E-04 47280   0.284E-02    0.215E-04
DAV: 132    -0.245582522490E+04    0.10992E-05   -0.38215E-04 47280   0.280E-02    0.151E-04
DAV: 133    -0.245582522587E+04   -0.97841E-06   -0.38464E-04 47200   0.282E-02    0.221E-04
DAV: 134    -0.245582522476E+04    0.11159E-05   -0.37937E-04 47168   0.279E-02    0.154E-04
DAV: 135    -0.245582522577E+04   -0.10081E-05   -0.38207E-04 47152   0.281E-02    0.223E-04
DAV: 136    -0.245582522468E+04    0.10903E-05   -0.37745E-04 47120   0.278E-02    0.157E-04
DAV: 137    -0.245582522567E+04   -0.99540E-06   -0.38027E-04 47072   0.280E-02    0.229E-04
DAV: 138    -0.245582522460E+04    0.10669E-05   -0.37570E-04 47040   0.277E-02    0.161E-04
DAV: 139    -0.245582522558E+04   -0.97966E-06   -0.37866E-04 46992   0.280E-02    0.235E-04
DAV: 140    -0.245582522455E+04    0.10357E-05   -0.37430E-04 46960   0.276E-02    0.171E-04
DAV: 141    -0.245582522554E+04   -0.99387E-06   -0.37789E-04 46944   0.279E-02    0.247E-04
DAV: 142    -0.245582522455E+04    0.99224E-06   -0.37411E-04 46944   0.276E-02    0.174E-04
DAV: 143    -0.245582522553E+04   -0.97980E-06   -0.37801E-04 46944   0.279E-02    0.246E-04
DAV: 144    -0.245582522458E+04    0.94819E-06   -0.37432E-04 46944   0.276E-02    0.175E-04
DAV: 145    -0.245582522553E+04   -0.94529E-06   -0.37841E-04 46944   0.279E-02    0.245E-04
DAV: 146    -0.245582522461E+04    0.92067E-06   -0.37452E-04 46928   0.276E-02    0.176E-04
DAV: 147    -0.245582522552E+04   -0.91665E-06   -0.37891E-04 46928   0.279E-02    0.236E-04
DAV: 148    -0.245582522465E+04    0.87176E-06   -0.37493E-04 46928   0.276E-02    0.173E-04
DAV: 149    -0.245582522554E+04   -0.89196E-06   -0.37936E-04 46928   0.279E-02    0.228E-04
DAV: 150    -0.245582522468E+04    0.86287E-06   -0.37545E-04 46928   0.276E-02    0.178E-04
DAV: 151    -0.245582522555E+04   -0.86809E-06   -0.38016E-04 46928   0.279E-02    0.239E-04
DAV: 152    -0.245582522472E+04    0.82994E-06   -0.37611E-04 46928   0.276E-02    0.178E-04
DAV: 153    -0.245582522557E+04   -0.85188E-06   -0.38099E-04 46928   0.280E-02    0.231E-04
DAV: 154    -0.245582522472E+04    0.85222E-06   -0.37620E-04 46928   0.276E-02    0.179E-04
DAV: 155    -0.245582522556E+04   -0.84528E-06   -0.38080E-04 46928   0.280E-02    0.231E-04
DAV: 156    -0.245582522471E+04    0.84976E-06   -0.37607E-04 46928   0.276E-02    0.181E-04
DAV: 157    -0.245582522555E+04   -0.83690E-06   -0.38066E-04 46928   0.279E-02    0.233E-04
DAV: 158    -0.245582522471E+04    0.84446E-06   -0.37580E-04 46928   0.276E-02    0.184E-04
DAV: 159    -0.245582522555E+04   -0.84915E-06   -0.38050E-04 46928   0.279E-02    0.234E-04
DAV: 160    -0.245582522472E+04    0.83634E-06   -0.37587E-04 46928   0.276E-02    0.185E-04
DAV: 161    -0.245582522556E+04   -0.83982E-06   -0.38082E-04 46928   0.279E-02    0.237E-04
DAV: 162    -0.245582522473E+04    0.83255E-06   -0.37602E-04 46928   0.275E-02    0.187E-04
DAV: 163    -0.245582522556E+04   -0.83561E-06   -0.38083E-04 46928   0.279E-02    0.234E-04
DAV: 164    -0.245582522471E+04    0.84797E-06   -0.37584E-04 46928   0.275E-02    0.191E-04
DAV: 165    -0.245582522554E+04   -0.83125E-06   -0.38090E-04 46928   0.279E-02    0.249E-04
DAV: 166    -0.245582522465E+04    0.89467E-06   -0.37551E-04 46928   0.275E-02    0.198E-04
DAV: 167    -0.245582522555E+04   -0.90076E-06   -0.38054E-04 46928   0.279E-02    0.258E-04
DAV: 168    -0.245582522465E+04    0.90115E-06   -0.37546E-04 46928   0.275E-02    0.197E-04
DAV: 169    -0.245582522555E+04   -0.90150E-06   -0.38054E-04 46928   0.279E-02    0.245E-04
DAV: 170    -0.245582522470E+04    0.85432E-06   -0.37612E-04 46928   0.276E-02    0.194E-04
DAV: 171    -0.245582522558E+04   -0.88134E-06   -0.38124E-04 46928   0.280E-02    0.225E-04
DAV: 172    -0.245582522469E+04    0.88639E-06   -0.37588E-04 46928   0.275E-02    0.195E-04
DAV: 173    -0.245582522551E+04   -0.81568E-06   -0.38025E-04 46928   0.279E-02    0.231E-04
DAV: 174    -0.245582522469E+04    0.81532E-06   -0.37505E-04 46928   0.275E-02    0.197E-04
DAV: 175    -0.245582522551E+04   -0.81534E-06   -0.38015E-04 46928   0.279E-02    0.223E-04
DAV: 176    -0.245582522471E+04    0.79986E-06   -0.37520E-04 46928   0.275E-02    0.197E-04
DAV: 177    -0.245582522547E+04   -0.76394E-06   -0.37996E-04 46928   0.279E-02    0.226E-04
DAV: 178    -0.245582522470E+04    0.77259E-06   -0.37483E-04 46928   0.275E-02    0.198E-04
DAV: 179    -0.245582522543E+04   -0.73568E-06   -0.37981E-04 46928   0.279E-02    0.218E-04
DAV: 180    -0.245582522463E+04    0.80711E-06   -0.37394E-04 46928   0.275E-02    0.220E-04
DAV: 181    -0.245582522539E+04   -0.76152E-06   -0.37859E-04 46928   0.279E-02    0.215E-04
DAV: 182    -0.245582522458E+04    0.80701E-06   -0.37273E-04 46912   0.274E-02    0.213E-04
DAV: 183    -0.245582522532E+04   -0.73456E-06   -0.37706E-04 46912   0.278E-02    0.215E-04
DAV: 184    -0.245582522498E+04    0.34096E-06   -0.37623E-04 46912   0.276E-02    0.198E-04
DAV: 185    -0.245582522530E+04   -0.32725E-06   -0.38161E-04 46912   0.280E-02    0.198E-04
DAV: 186    -0.245582522516E+04    0.14435E-06   -0.37854E-04 46912   0.276E-02    0.243E-04
DAV: 187    -0.245582522544E+04   -0.28376E-06   -0.38692E-04 46912   0.282E-02    0.213E-04
DAV: 188    -0.245582522490E+04    0.54619E-06   -0.37819E-04 46912   0.276E-02    0.273E-04
DAV: 189    -0.245582522553E+04   -0.63284E-06   -0.38466E-04 46912   0.281E-02    0.234E-04
DAV: 190    -0.245582522467E+04    0.85543E-06   -0.37626E-04 46912   0.276E-02    0.303E-04
DAV: 191    -0.245582522553E+04   -0.85733E-06   -0.38022E-04 46896   0.280E-02    0.246E-04
DAV: 192    -0.245582522468E+04    0.84758E-06   -0.37455E-04 46896   0.275E-02    0.272E-04
DAV: 193    -0.245582522545E+04   -0.76408E-06   -0.37806E-04 46880   0.279E-02    0.203E-04
DAV: 194    -0.245582522466E+04    0.79222E-06   -0.37330E-04 46880   0.275E-02    0.237E-04
DAV: 195    -0.245582522542E+04   -0.76187E-06   -0.37751E-04 46880   0.278E-02    0.184E-04
DAV: 196    -0.245582522467E+04    0.74351E-06   -0.37287E-04 46880   0.274E-02    0.222E-04
DAV: 197    -0.245582522537E+04   -0.70054E-06   -0.37682E-04 46880   0.278E-02    0.169E-04
DAV: 198    -0.245582522472E+04    0.65074E-06   -0.37259E-04 46880   0.274E-02    0.191E-04
DAV: 199    -0.245582522536E+04   -0.63181E-06   -0.37710E-04 46880   0.278E-02    0.157E-04
DAV: 200    -0.245582522473E+04    0.62701E-06   -0.37280E-04 46880   0.274E-02
   1 F= -.24558252E+04 E0= -.24557988E+04  d E =-.529172E-01

---------------
Job output ends
=========================================================
SLURM job: finished date = Wed 2 Sep 18:03:45 BST 2020
Total run time : 5 Hours 58 Minutes 41 Seconds
=========================================================
