iterations/neb1_max2_image02_iter23_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.422722811893E+04 0.42272E+04 -0.25386E+05 8992 0.103E+03
DAV: 2 -0.103005021092E+03 -0.43302E+04 -0.39268E+04 10968 0.248E+02
DAV: 3 -0.426980682926E+03 -0.32398E+03 -0.30263E+03 10208 0.658E+01
DAV: 4 -0.435501450221E+03 -0.85208E+01 -0.84174E+01 10768 0.107E+01
DAV: 5 -0.435800876938E+03 -0.29943E+00 -0.29867E+00 11224 0.195E+00 0.999E+01
RMM: 6 -0.389371595873E+03 0.46429E+02 -0.11212E+02 9708 0.147E+01 0.738E+01
RMM: 7 -0.823705427223E+03 -0.43433E+03 -0.47007E+02 11406 0.197E+01 0.152E+02
RMM: 8 -0.496736320357E+03 0.32697E+03 -0.11147E+02 9978 0.112E+01 0.917E+01
RMM: 9 -0.430175674829E+03 0.66561E+02 -0.66862E+01 10151 0.106E+01 0.625E+01
RMM: 10 -0.375586103059E+03 0.54590E+02 -0.39189E+01 10341 0.809E+00 0.309E+01
RMM: 11 -0.390612871150E+03 -0.15027E+02 -0.20065E+01 10435 0.503E+00 0.460E+01
RMM: 12 -0.375114199831E+03 0.15499E+02 -0.53817E+00 9958 0.319E+00 0.273E+01
RMM: 13 -0.373003668263E+03 0.21105E+01 -0.22567E+00 10212 0.208E+00 0.200E+01
RMM: 14 -0.374792305794E+03 -0.17886E+01 -0.15997E+00 10257 0.171E+00 0.132E+01
RMM: 15 -0.379947353573E+03 -0.51550E+01 -0.13775E+00 10500 0.153E+00 0.146E+01
RMM: 16 -0.383674143363E+03 -0.37268E+01 -0.17001E+00 10753 0.164E+00 0.125E+01
RMM: 17 -0.387321369682E+03 -0.36472E+01 -0.14541E+00 10814 0.147E+00 0.105E+01
RMM: 18 -0.391886351521E+03 -0.45650E+01 -0.13870E+00 11084 0.137E+00 0.949E+00
RMM: 19 -0.394902760268E+03 -0.30164E+01 -0.99607E-01 10983 0.117E+00 0.767E+00
RMM: 20 -0.397568557473E+03 -0.26658E+01 -0.62336E-01 10836 0.920E-01 0.695E+00
RMM: 21 -0.399285113926E+03 -0.17166E+01 -0.34475E-01 10650 0.682E-01 0.691E+00
RMM: 22 -0.401416640188E+03 -0.21315E+01 -0.60917E-01 11518 0.836E-01 0.770E+00
RMM: 23 -0.404472666218E+03 -0.30560E+01 -0.16189E+00 12715 0.116E+00 0.617E+00
RMM: 24 -0.407897255470E+03 -0.34246E+01 -0.14577E+00 12884 0.107E+00 0.514E+00
RMM: 25 -0.409624925136E+03 -0.17277E+01 -0.27050E-01 11330 0.501E-01 0.486E+00
RMM: 26 -0.410165231417E+03 -0.54031E+00 -0.40162E-02 10499 0.200E-01 0.483E+00
RMM: 27 -0.410167271932E+03 -0.20405E-02 -0.78509E-03 11272 0.766E-02 0.485E+00
RMM: 28 -0.410138446019E+03 0.28826E-01 -0.14671E-03 10395 0.401E-02 0.494E+00
RMM: 29 -0.409763174729E+03 0.37527E+00 -0.12386E-01 16919 0.407E-01 0.552E+00
RMM: 30 -0.408352721703E+03 0.14105E+01 -0.49812E-01 17782 0.753E-01 0.757E+00
RMM: 31 -0.405793909709E+03 0.25588E+01 -0.69514E-01 17550 0.816E-01 0.913E+00
RMM: 32 -0.407182867419E+03 -0.13890E+01 -0.55571E-01 17183 0.693E-01 0.745E+00
RMM: 33 -0.411276702302E+03 -0.40938E+01 -0.26600E+00 17918 0.148E+00 0.975E+00
RMM: 34 -0.412474676403E+03 -0.11980E+01 -0.32748E-02 13800 0.218E-01 0.975E+00
RMM: 35 -0.412515608382E+03 -0.40932E-01 -0.72023E-03 12273 0.100E-01 0.996E+00
RMM: 36 -0.412236621375E+03 0.27899E+00 -0.15687E-02 13655 0.143E-01 0.101E+01
RMM: 37 -0.411814424789E+03 0.42220E+00 -0.19289E-02 14126 0.153E-01 0.103E+01
RMM: 38 -0.411490365616E+03 0.32406E+00 -0.11606E-02 13095 0.120E-01 0.104E+01
RMM: 39 -0.411229904137E+03 0.26046E+00 -0.30463E-02 14683 0.188E-01 0.104E+01
RMM: 40 -0.411052059686E+03 0.17784E+00 -0.10332E-01 16779 0.356E-01 0.499E+00
RMM: 41 -0.412967781596E+03 -0.19157E+01 -0.40082E-01 17810 0.670E-01 0.678E+00
RMM: 42 -0.413580984816E+03 -0.61320E+00 -0.20142E-02 13263 0.168E-01 0.650E+00
RMM: 43 -0.413858940110E+03 -0.27796E+00 -0.11627E-02 12084 0.109E-01 0.627E+00
RMM: 44 -0.414636879097E+03 -0.77794E+00 -0.18665E-01 16859 0.385E-01 0.557E+00
RMM: 45 -0.414639469637E+03 -0.25905E-02 -0.14003E-01 16574 0.353E-01 0.496E+00
RMM: 46 -0.414878649143E+03 -0.23918E+00 -0.42999E-02 15092 0.223E-01 0.455E+00
RMM: 47 -0.415122279732E+03 -0.24363E+00 -0.55529E-02 15285 0.220E-01 0.377E+00
RMM: 48 -0.415231794780E+03 -0.10952E+00 -0.29651E-02 14140 0.164E-01 0.279E+00
RMM: 49 -0.415284740550E+03 -0.52946E-01 -0.18805E-02 13073 0.125E-01 0.368E+00
RMM: 50 -0.415172284655E+03 0.11246E+00 -0.67150E-03 11209 0.103E-01 0.350E+00
RMM: 51 -0.415024716773E+03 0.14757E+00 -0.77859E-02 16486 0.283E-01 0.377E+00
RMM: 52 -0.414866665752E+03 0.15805E+00 -0.51802E-04 10778 0.315E-02 0.378E+00
RMM: 53 -0.414793280097E+03 0.73386E-01 -0.12823E-03 11137 0.423E-02 0.362E+00
RMM: 54 -0.414887062628E+03 -0.93783E-01 -0.20091E-03 11901 0.440E-02 0.338E+00
RMM: 55 -0.415085496623E+03 -0.19843E+00 -0.31106E-02 16412 0.173E-01 0.264E+00
RMM: 56 -0.415448388827E+03 -0.36289E+00 -0.59838E-02 16996 0.225E-01 0.207E+00
RMM: 57 -0.415808692724E+03 -0.36030E+00 -0.25477E-02 15867 0.150E-01 0.161E+00
RMM: 58 -0.415994017663E+03 -0.18532E+00 -0.15233E-02 15321 0.122E-01 0.147E+00
RMM: 59 -0.416327338875E+03 -0.33332E+00 -0.13138E-02 14790 0.110E-01 0.117E+00
RMM: 60 -0.416384504417E+03 -0.57166E-01 -0.16075E-02 15287 0.126E-01 0.958E-01
RMM: 61 -0.416464379034E+03 -0.79875E-01 -0.63829E-03 13623 0.815E-02 0.944E-01
RMM: 62 -0.416497819085E+03 -0.33440E-01 -0.50778E-03 13332 0.691E-02 0.954E-01
RMM: 63 -0.416566080050E+03 -0.68261E-01 -0.30796E-03 12343 0.557E-02 0.915E-01
RMM: 64 -0.416608002580E+03 -0.41923E-01 -0.15885E-03 11408 0.395E-02 0.917E-01
RMM: 65 -0.416636474202E+03 -0.28472E-01 -0.72335E-04 10853 0.273E-02 0.895E-01
RMM: 66 -0.416688647508E+03 -0.52173E-01 -0.20789E-03 12299 0.389E-02 0.980E-01
RMM: 67 -0.416719017595E+03 -0.30370E-01 -0.84628E-04 11321 0.264E-02 0.102E+00
RMM: 68 -0.416755421184E+03 -0.36404E-01 -0.12266E-03 11696 0.291E-02 0.108E+00
RMM: 69 -0.416789751123E+03 -0.34330E-01 -0.13040E-03 12275 0.299E-02 0.106E+00
RMM: 70 -0.416817401537E+03 -0.27650E-01 -0.90379E-04 11919 0.257E-02 0.104E+00
RMM: 71 -0.416662984576E+03 0.15442E+00 -0.88982E-03 15969 0.984E-02 0.775E-01
RMM: 72 -0.416730618995E+03 -0.67634E-01 -0.13381E-03 12269 0.310E-02 0.813E-01
RMM: 73 -0.416787443646E+03 -0.56825E-01 -0.16970E-03 12690 0.367E-02 0.880E-01
RMM: 74 -0.416814097247E+03 -0.26654E-01 -0.70979E-04 11674 0.232E-02 0.838E-01
RMM: 75 -0.416823221764E+03 -0.91245E-02 -0.67563E-04 11986 0.207E-02 0.740E-01
RMM: 76 -0.416793755242E+03 0.29467E-01 -0.15772E-02 17037 0.107E-01 0.510E-01
RMM: 77 -0.416811038851E+03 -0.17284E-01 -0.94904E-04 13067 0.283E-02 0.436E-01
RMM: 78 -0.416816335222E+03 -0.52964E-02 -0.52474E-04 12080 0.198E-02 0.396E-01
RMM: 79 -0.416817310080E+03 -0.97486E-03 -0.13836E-04 10222 0.113E-02 0.381E-01
RMM: 80 -0.416816201856E+03 0.11082E-02 -0.37443E-04 11804 0.151E-02 0.369E-01
RMM: 81 -0.416770942401E+03 0.45259E-01 -0.75610E-03 15673 0.639E-02 0.129E-01
RMM: 82 -0.416785687827E+03 -0.14745E-01 -0.24598E-04 11433 0.174E-02 0.119E-01
RMM: 83 -0.416797059271E+03 -0.11371E-01 -0.27043E-04 11516 0.158E-02 0.785E-02
RMM: 84 -0.416804685604E+03 -0.76263E-02 -0.14951E-04 10332 0.115E-02 0.720E-02
RMM: 85 -0.416814385311E+03 -0.96997E-02 -0.13064E-04 10037 0.991E-03 0.766E-02
RMM: 86 -0.416824785206E+03 -0.10400E-01 -0.17715E-04 10130 0.105E-02 0.506E-02
RMM: 87 -0.416834958873E+03 -0.10174E-01 -0.18274E-04 10256 0.105E-02 0.502E-02
RMM: 88 -0.416839141417E+03 -0.41825E-02 -0.65339E-05 8907 0.672E-03 0.487E-02
RMM: 89 -0.416841403116E+03 -0.22617E-02 -0.34989E-05 7903 0.505E-03 0.509E-02
RMM: 90 -0.416842604490E+03 -0.12014E-02 -0.15067E-05 7056 0.331E-03 0.497E-02
RMM: 91 -0.416840056143E+03 0.25483E-02 -0.43343E-04 11437 0.140E-02 0.224E-02
RMM: 92 -0.416841844051E+03 -0.17879E-02 -0.19423E-05 7140 0.409E-03 0.943E-03
RMM: 93 -0.416843285828E+03 -0.14418E-02 -0.19382E-05 6991 0.359E-03 0.116E-02
RMM: 94 -0.416844105768E+03 -0.81994E-03 -0.62703E-06 6047 0.222E-03 0.105E-02
RMM: 95 -0.416844371160E+03 -0.26539E-03 -0.18416E-06 4508 0.134E-03 0.891E-03
RMM: 96 -0.416844630314E+03 -0.25915E-03 -0.20221E-06 5343 0.147E-03 0.465E-03
RMM: 97 -0.416845063562E+03 -0.43325E-03 -0.95896E-07 4017 0.117E-03 0.351E-03
RMM: 98 -0.416845306472E+03 -0.24291E-03 -0.10824E-06 4163 0.111E-03 0.279E-03
RMM: 99 -0.416845419088E+03 -0.11262E-03 -0.82111E-07 4058 0.115E-03 0.402E-03
RMM: 100 -0.416845525592E+03 -0.10650E-03 -0.45949E-07 3641 0.100E-03 0.127E-03
RMM: 101 -0.416845600316E+03 -0.74724E-04 -0.43316E-07 3433 0.925E-04 0.170E-03
RMM: 102 -0.416845648262E+03 -0.47946E-04 -0.33831E-07 3183 0.864E-04 0.143E-03
RMM: 103 -0.416845664374E+03 -0.16112E-04 -0.12100E-07 2613 0.800E-04 0.776E-04
RMM: 104 -0.416845677966E+03 -0.13591E-04 -0.11856E-07 2607 0.808E-04 0.504E-04
RMM: 105 -0.416845685044E+03 -0.70782E-05 -0.80910E-08 2453 0.799E-04
1 F= -.45454766E+03 E0= -.45454727E+03 d E =-.116780E-02 mag= -0.0002