iterations/neb1_max1_image05_iter5_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.421701493630E+04 0.42170E+04 -0.25381E+05 9000 0.103E+03
DAV: 2 -0.106233192121E+03 -0.43232E+04 -0.39283E+04 11024 0.248E+02
DAV: 3 -0.427421338735E+03 -0.32119E+03 -0.30027E+03 10216 0.655E+01
DAV: 4 -0.435866258416E+03 -0.84449E+01 -0.83510E+01 10896 0.106E+01
DAV: 5 -0.436140053488E+03 -0.27380E+00 -0.27314E+00 11216 0.187E+00 0.996E+01
RMM: 6 -0.389236530947E+03 0.46904E+02 -0.11005E+02 9704 0.144E+01 0.721E+01
RMM: 7 -0.799612453344E+03 -0.41038E+03 -0.43300E+02 11368 0.191E+01 0.149E+02
RMM: 8 -0.496586410047E+03 0.30303E+03 -0.11555E+02 10043 0.113E+01 0.909E+01
RMM: 9 -0.413285708090E+03 0.83301E+02 -0.66947E+01 10174 0.106E+01 0.559E+01
RMM: 10 -0.393233790484E+03 0.20052E+02 -0.41515E+01 10295 0.843E+00 0.441E+01
RMM: 11 -0.385590493174E+03 0.76433E+01 -0.22992E+01 10276 0.573E+00 0.433E+01
RMM: 12 -0.376200007140E+03 0.93905E+01 -0.78343E+00 10005 0.367E+00 0.286E+01
RMM: 13 -0.375505235987E+03 0.69477E+00 -0.32897E+00 10169 0.243E+00 0.233E+01
RMM: 14 -0.374366372802E+03 0.11389E+01 -0.12929E+00 10124 0.151E+00 0.152E+01
RMM: 15 -0.377744696935E+03 -0.33783E+01 -0.11973E+00 10437 0.141E+00 0.122E+01
RMM: 16 -0.383146376588E+03 -0.54017E+01 -0.12013E+00 10519 0.144E+00 0.126E+01
RMM: 17 -0.388937214454E+03 -0.57908E+01 -0.21548E+00 11362 0.178E+00 0.931E+00
RMM: 18 -0.392000729834E+03 -0.30635E+01 -0.73954E-01 10467 0.106E+00 0.629E+00
RMM: 19 -0.394636898089E+03 -0.26362E+01 -0.44665E-01 10540 0.803E-01 0.651E+00
RMM: 20 -0.397814778761E+03 -0.31779E+01 -0.94283E-01 11560 0.107E+00 0.753E+00
RMM: 21 -0.400588235988E+03 -0.27735E+01 -0.98712E-01 11897 0.104E+00 0.740E+00
RMM: 22 -0.403592884772E+03 -0.30046E+01 -0.10298E+00 12111 0.100E+00 0.656E+00
RMM: 23 -0.407994612695E+03 -0.44017E+01 -0.20150E+00 12997 0.126E+00 0.663E+00
RMM: 24 -0.409539934877E+03 -0.15453E+01 -0.42618E-01 11526 0.606E-01 0.591E+00
RMM: 25 -0.410091763315E+03 -0.55183E+00 -0.53677E-02 10516 0.231E-01 0.558E+00
RMM: 26 -0.410215179309E+03 -0.12342E+00 -0.10315E-02 11171 0.901E-02 0.548E+00
RMM: 27 -0.410368421522E+03 -0.15324E+00 -0.41091E-03 10366 0.652E-02 0.585E+00
RMM: 28 -0.409384196839E+03 0.98422E+00 -0.18580E-01 16075 0.457E-01 0.435E+00
RMM: 29 -0.409370492795E+03 0.13704E-01 -0.35008E-01 17005 0.626E-01 0.635E+00
RMM: 30 -0.408430674021E+03 0.93982E+00 -0.43849E-01 17330 0.733E-01 0.103E+01
RMM: 31 -0.407721120838E+03 0.70955E+00 -0.18935E-02 11637 0.163E-01 0.978E+00
RMM: 32 -0.409573452244E+03 -0.18523E+01 -0.24608E+00 17882 0.142E+00 0.579E+00
RMM: 33 -0.411634518666E+03 -0.20611E+01 -0.73413E-01 17310 0.776E-01 0.731E+00
RMM: 34 -0.412220365081E+03 -0.58585E+00 -0.36971E-01 16973 0.604E-01 0.677E+00
RMM: 35 -0.413030397451E+03 -0.81003E+00 -0.13402E-01 15810 0.380E-01 0.519E+00
RMM: 36 -0.413520836281E+03 -0.49044E+00 -0.34715E-02 13966 0.215E-01 0.430E+00
RMM: 37 -0.413789817942E+03 -0.26898E+00 -0.51807E-03 10711 0.966E-02 0.406E+00
RMM: 38 -0.414501430634E+03 -0.71161E+00 -0.35560E-02 13851 0.240E-01 0.375E+00
RMM: 39 -0.415787356363E+03 -0.12859E+01 -0.51506E-02 14876 0.291E-01 0.283E+00
RMM: 40 -0.416284264669E+03 -0.49691E+00 -0.22950E-02 13193 0.185E-01 0.227E+00
RMM: 41 -0.416500293865E+03 -0.21603E+00 -0.11690E-02 12128 0.130E-01 0.187E+00
RMM: 42 -0.416651849198E+03 -0.15156E+00 -0.73945E-03 11347 0.102E-01 0.146E+00
RMM: 43 -0.416766130427E+03 -0.11428E+00 -0.50586E-03 10940 0.804E-02 0.130E+00
RMM: 44 -0.416909153986E+03 -0.14302E+00 -0.62338E-03 11443 0.841E-02 0.102E+00
RMM: 45 -0.417051031413E+03 -0.14188E+00 -0.81245E-03 11988 0.918E-02 0.902E-01
RMM: 46 -0.417225512554E+03 -0.17448E+00 -0.87400E-03 12054 0.934E-02 0.919E-01
RMM: 47 -0.417404826285E+03 -0.17931E+00 -0.76557E-03 11932 0.902E-02 0.968E-01
RMM: 48 -0.417495090314E+03 -0.90264E-01 -0.82644E-03 11960 0.889E-02 0.133E+00
RMM: 49 -0.417484861481E+03 0.10229E-01 -0.43812E-03 11260 0.632E-02 0.978E-01
RMM: 50 -0.417585453479E+03 -0.10059E+00 -0.68723E-03 11991 0.692E-02 0.547E-01
RMM: 51 -0.417616084927E+03 -0.30631E-01 -0.48148E-03 11782 0.754E-02 0.449E-01
RMM: 52 -0.417611535386E+03 0.45495E-02 -0.55826E-04 10336 0.293E-02 0.572E-01
RMM: 53 -0.417670693949E+03 -0.59159E-01 -0.13989E-03 11261 0.363E-02 0.389E-01
RMM: 54 -0.417723114540E+03 -0.52421E-01 -0.19831E-03 12028 0.390E-02 0.249E-01
RMM: 55 -0.417742525233E+03 -0.19411E-01 -0.22905E-04 10414 0.186E-02 0.226E-01
RMM: 56 -0.417771308071E+03 -0.28783E-01 -0.63605E-04 11011 0.297E-02 0.146E-01
RMM: 57 -0.417813943971E+03 -0.42636E-01 -0.57475E-04 11468 0.217E-02 0.117E-01
RMM: 58 -0.417832244760E+03 -0.18301E-01 -0.22030E-04 10744 0.140E-02 0.148E-01
RMM: 59 -0.417843358188E+03 -0.11113E-01 -0.15477E-04 9847 0.111E-02 0.124E-01
RMM: 60 -0.417849383035E+03 -0.60248E-02 -0.14319E-04 9887 0.103E-02 0.103E-01
RMM: 61 -0.417851921689E+03 -0.25387E-02 -0.92027E-05 8958 0.809E-03 0.774E-02
RMM: 62 -0.417852863346E+03 -0.94166E-03 -0.44864E-05 8300 0.617E-03 0.296E-02
RMM: 63 -0.417853531593E+03 -0.66825E-03 -0.30753E-05 7703 0.520E-03 0.181E-02
RMM: 64 -0.417854371732E+03 -0.84014E-03 -0.15096E-05 6931 0.375E-03 0.208E-02
RMM: 65 -0.417855258000E+03 -0.88627E-03 -0.17504E-05 7049 0.327E-03 0.780E-03
RMM: 66 -0.417855936895E+03 -0.67890E-03 -0.18000E-05 7089 0.314E-03 0.128E-02
RMM: 67 -0.417856342369E+03 -0.40547E-03 -0.80140E-06 6687 0.235E-03 0.735E-03
RMM: 68 -0.417856629683E+03 -0.28731E-03 -0.50320E-06 5039 0.168E-03 0.768E-03
RMM: 69 -0.417856756884E+03 -0.12720E-03 -0.24275E-06 4462 0.133E-03 0.829E-03
RMM: 70 -0.417856804299E+03 -0.47415E-04 -0.12633E-06 3884 0.113E-03 0.365E-03
RMM: 71 -0.417856828251E+03 -0.23952E-04 -0.85831E-07 3920 0.111E-03 0.304E-03
RMM: 72 -0.417856813379E+03 0.14873E-04 -0.86944E-07 3605 0.102E-03 0.148E-03
RMM: 73 -0.417856832910E+03 -0.19532E-04 -0.31518E-07 2824 0.911E-04 0.120E-03
RMM: 74 -0.417856850546E+03 -0.17636E-04 -0.32314E-07 2870 0.910E-04 0.120E-03
RMM: 75 -0.417856877252E+03 -0.26705E-04 -0.25785E-07 2798 0.889E-04 0.675E-04
RMM: 76 -0.417856893385E+03 -0.16133E-04 -0.16186E-07 2571 0.868E-04 0.589E-04
RMM: 77 -0.417856904016E+03 -0.10631E-04 -0.27950E-07 2823 0.892E-04 0.529E-04
RMM: 78 -0.417856917193E+03 -0.13178E-04 -0.65170E-08 2371 0.832E-04 0.589E-04
RMM: 79 -0.417856926104E+03 -0.89111E-05 -0.69384E-08 2274 0.833E-04
1 F= -.45548927E+03 E0= -.45548968E+03 d E =0.122305E-02 mag= -0.0002