iterations/neb1_max2_image01_iter32_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.422414967696E+04 0.42241E+04 -0.25384E+05 8992 0.103E+03
DAV: 2 -0.104710735338E+03 -0.43289E+04 -0.39250E+04 11016 0.248E+02
DAV: 3 -0.427191570036E+03 -0.32248E+03 -0.30129E+03 10232 0.657E+01
DAV: 4 -0.435643863818E+03 -0.84523E+01 -0.83534E+01 10656 0.107E+01
DAV: 5 -0.435947515320E+03 -0.30365E+00 -0.30285E+00 11176 0.198E+00 0.997E+01
RMM: 6 -0.389218304666E+03 0.46729E+02 -0.11144E+02 9703 0.146E+01 0.732E+01
RMM: 7 -0.809277673931E+03 -0.42006E+03 -0.44956E+02 11306 0.195E+01 0.150E+02
RMM: 8 -0.498140550113E+03 0.31114E+03 -0.11679E+02 10024 0.113E+01 0.916E+01
RMM: 9 -0.418673239555E+03 0.79467E+02 -0.66375E+01 10173 0.106E+01 0.575E+01
RMM: 10 -0.400756768551E+03 0.17916E+02 -0.42226E+01 10331 0.854E+00 0.473E+01
RMM: 11 -0.384292244308E+03 0.16465E+02 -0.24327E+01 10325 0.579E+00 0.426E+01
RMM: 12 -0.373041981848E+03 0.11250E+02 -0.79071E+00 10000 0.381E+00 0.283E+01
RMM: 13 -0.373561058326E+03 -0.51908E+00 -0.35691E+00 10181 0.252E+00 0.217E+01
RMM: 14 -0.372788452471E+03 0.77261E+00 -0.13679E+00 10149 0.156E+00 0.146E+01
RMM: 15 -0.377093724584E+03 -0.43053E+01 -0.14142E+00 10438 0.153E+00 0.120E+01
RMM: 16 -0.382079028651E+03 -0.49853E+01 -0.12037E+00 10417 0.143E+00 0.123E+01
RMM: 17 -0.388312100485E+03 -0.62331E+01 -0.23861E+00 11410 0.182E+00 0.103E+01
RMM: 18 -0.391335892473E+03 -0.30238E+01 -0.91972E-01 10600 0.115E+00 0.694E+00
RMM: 19 -0.394038909933E+03 -0.27030E+01 -0.34597E-01 10285 0.720E-01 0.671E+00
RMM: 20 -0.397033483362E+03 -0.29946E+01 -0.62962E-01 11262 0.876E-01 0.689E+00
RMM: 21 -0.400498759411E+03 -0.34653E+01 -0.11485E+00 12143 0.112E+00 0.608E+00
RMM: 22 -0.404381330725E+03 -0.38826E+01 -0.16094E+00 12624 0.122E+00 0.479E+00
RMM: 23 -0.408559871617E+03 -0.41785E+01 -0.18197E+00 12924 0.121E+00 0.615E+00
RMM: 24 -0.409732777334E+03 -0.11729E+01 -0.44974E-01 11600 0.623E-01 0.623E+00
RMM: 25 -0.409809487768E+03 -0.76710E-01 -0.49921E-02 10499 0.223E-01 0.579E+00
RMM: 26 -0.409983710262E+03 -0.17422E+00 -0.13696E-02 10856 0.983E-02 0.567E+00
RMM: 27 -0.410114012470E+03 -0.13030E+00 -0.33430E-03 10926 0.513E-02 0.574E+00
RMM: 28 -0.409404453641E+03 0.70956E+00 -0.28474E-01 16862 0.568E-01 0.493E+00
RMM: 29 -0.409491626507E+03 -0.87173E-01 -0.24338E-01 16355 0.534E-01 0.632E+00
RMM: 30 -0.409292151398E+03 0.19948E+00 -0.37109E-03 10800 0.858E-02 0.625E+00
RMM: 31 -0.409885477556E+03 -0.59333E+00 -0.23020E-01 16568 0.504E-01 0.626E+00
RMM: 32 -0.410210683362E+03 -0.32521E+00 -0.28667E-01 17071 0.534E-01 0.769E+00
RMM: 33 -0.410162478034E+03 0.48205E-01 -0.75344E-02 15839 0.301E-01 0.916E+00
RMM: 34 -0.410078539706E+03 0.83938E-01 -0.49046E-02 15055 0.249E-01 0.824E+00
RMM: 35 -0.411168278148E+03 -0.10897E+01 -0.24117E-01 17182 0.504E-01 0.108E+01
RMM: 36 -0.410849196857E+03 0.31908E+00 -0.63214E-02 15377 0.260E-01 0.752E+00
RMM: 37 -0.412501494407E+03 -0.16523E+01 -0.57184E-01 17790 0.747E-01 0.913E+00
RMM: 38 -0.412898212775E+03 -0.39672E+00 -0.72106E-02 15840 0.323E-01 0.832E+00
RMM: 39 -0.413586355260E+03 -0.68814E+00 -0.95687E-02 16077 0.346E-01 0.448E+00
RMM: 40 -0.414693612690E+03 -0.11073E+01 -0.44530E-02 14500 0.220E-01 0.370E+00
RMM: 41 -0.415239967464E+03 -0.54635E+00 -0.44406E-02 15106 0.242E-01 0.318E+00
RMM: 42 -0.415354988326E+03 -0.11502E+00 -0.13834E-02 13057 0.142E-01 0.293E+00
RMM: 43 -0.415469356742E+03 -0.11437E+00 -0.16403E-02 13232 0.155E-01 0.235E+00
RMM: 44 -0.415449421856E+03 0.19935E-01 -0.16293E-02 13067 0.147E-01 0.246E+00
RMM: 45 -0.415466241533E+03 -0.16820E-01 -0.23094E-03 10508 0.545E-02 0.234E+00
RMM: 46 -0.415586662509E+03 -0.12042E+00 -0.21905E-03 10712 0.522E-02 0.207E+00
RMM: 47 -0.415863266167E+03 -0.27660E+00 -0.62850E-03 12238 0.942E-02 0.161E+00
RMM: 48 -0.416051901304E+03 -0.18864E+00 -0.51751E-03 12312 0.807E-02 0.148E+00
RMM: 49 -0.416267322375E+03 -0.21542E+00 -0.14532E-02 13895 0.122E-01 0.140E+00
RMM: 50 -0.416470915101E+03 -0.20359E+00 -0.10817E-02 13657 0.110E-01 0.207E+00
RMM: 51 -0.416495482770E+03 -0.24568E-01 -0.19291E-03 10904 0.532E-02 0.237E+00
RMM: 52 -0.416481400022E+03 0.14083E-01 -0.30049E-03 11268 0.457E-02 0.335E+00
RMM: 53 -0.416468594404E+03 0.12806E-01 -0.75168E-03 11819 0.679E-02 0.530E+00
RMM: 54 -0.416302670630E+03 0.16592E+00 -0.92344E-04 10494 0.445E-02 0.528E+00
RMM: 55 -0.416282267736E+03 0.20403E-01 -0.61462E-04 10672 0.234E-02 0.385E+00
RMM: 56 -0.416442850351E+03 -0.16058E+00 -0.16028E-03 12603 0.547E-02 0.295E+00
RMM: 57 -0.416553223067E+03 -0.11037E+00 -0.21371E-03 13250 0.495E-02 0.373E+00
RMM: 58 -0.416523573832E+03 0.29649E-01 -0.31981E-03 14197 0.624E-02 0.666E-01
RMM: 59 -0.416631701396E+03 -0.10813E+00 -0.29269E-03 13714 0.664E-02 0.474E-01
RMM: 60 -0.416717209799E+03 -0.85508E-01 -0.15918E-03 12797 0.446E-02 0.428E-01
RMM: 61 -0.416809420082E+03 -0.92210E-01 -0.30446E-03 14000 0.526E-02 0.384E-01
RMM: 62 -0.416900049329E+03 -0.90629E-01 -0.58913E-03 14591 0.639E-02 0.474E-01
RMM: 63 -0.416949555671E+03 -0.49506E-01 -0.11754E-03 12613 0.329E-02 0.497E-01
RMM: 64 -0.416993721507E+03 -0.44166E-01 -0.79853E-04 11852 0.258E-02 0.549E-01
RMM: 65 -0.417019476042E+03 -0.25755E-01 -0.42058E-04 11223 0.199E-02 0.583E-01
RMM: 66 -0.417039218651E+03 -0.19743E-01 -0.22018E-04 10888 0.151E-02 0.596E-01
RMM: 67 -0.417052872082E+03 -0.13653E-01 -0.19145E-04 10723 0.141E-02 0.633E-01
RMM: 68 -0.417060023459E+03 -0.71514E-02 -0.13198E-04 9707 0.105E-02 0.661E-01
RMM: 69 -0.417061418174E+03 -0.13947E-02 -0.14498E-04 9295 0.101E-02 0.701E-01
RMM: 70 -0.417060196277E+03 0.12219E-02 -0.19105E-04 9097 0.110E-02 0.748E-01
RMM: 71 -0.417057370945E+03 0.28253E-02 -0.29723E-05 7334 0.586E-03 0.757E-01
RMM: 72 -0.417056440038E+03 0.93091E-03 -0.20493E-05 6674 0.420E-03 0.772E-01
RMM: 73 -0.417054253156E+03 0.21869E-02 -0.55009E-05 7214 0.555E-03 0.798E-01
RMM: 74 -0.417052037860E+03 0.22153E-02 -0.43007E-05 6808 0.489E-03 0.820E-01
RMM: 75 -0.417052106328E+03 -0.68468E-04 -0.19264E-06 4732 0.183E-03 0.820E-01
RMM: 76 -0.417052223069E+03 -0.11674E-03 -0.34821E-06 6153 0.241E-03 0.823E-01
RMM: 77 -0.417051604475E+03 0.61859E-03 -0.15963E-06 4238 0.150E-03 0.826E-01
RMM: 78 -0.417051812474E+03 -0.20800E-03 -0.11424E-06 3458 0.130E-03 0.823E-01
RMM: 79 -0.417051837109E+03 -0.24635E-04 -0.22891E-07 2631 0.102E-03 0.823E-01
RMM: 80 -0.417051826364E+03 0.10745E-04 -0.11477E-07 2498 0.933E-04 0.823E-01
RMM: 81 -0.417053088340E+03 -0.12620E-02 -0.89615E-05 7873 0.751E-03 0.797E-01
RMM: 82 -0.417054440180E+03 -0.13518E-02 -0.59671E-06 6422 0.280E-03 0.800E-01
RMM: 83 -0.417054770299E+03 -0.33012E-03 -0.13911E-06 4309 0.129E-03 0.799E-01
RMM: 84 -0.417055864474E+03 -0.10942E-02 -0.64767E-06 5267 0.205E-03 0.791E-01
RMM: 85 -0.417061646904E+03 -0.57824E-02 -0.17370E-04 8045 0.861E-03 0.742E-01
RMM: 86 -0.417067222392E+03 -0.55755E-02 -0.21781E-04 8835 0.103E-02 0.686E-01
RMM: 87 -0.417074156913E+03 -0.69345E-02 -0.44853E-04 9646 0.140E-02 0.601E-01
RMM: 88 -0.417080894774E+03 -0.67379E-02 -0.62296E-04 10253 0.165E-02 0.501E-01
RMM: 89 -0.417088371234E+03 -0.74765E-02 -0.13138E-03 11433 0.233E-02 0.366E-01
RMM: 90 -0.417092644251E+03 -0.42730E-02 -0.91546E-04 10304 0.196E-02 0.288E-01
RMM: 91 -0.417092650381E+03 -0.61299E-05 -0.54843E-05 7095 0.628E-03
1 F= -.45479166E+03 E0= -.45479168E+03 d E =0.664965E-04 mag= 0.0062