iterations/neb3_max2_image02_iter1_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.422725421849E+04 0.42273E+04 -0.25385E+05 8992 0.103E+03
DAV: 2 -0.102950842825E+03 -0.43302E+04 -0.39261E+04 11008 0.248E+02
DAV: 3 -0.425601809628E+03 -0.32265E+03 -0.30209E+03 10248 0.657E+01
DAV: 4 -0.434180871779E+03 -0.85791E+01 -0.84341E+01 10856 0.107E+01
DAV: 5 -0.434480883006E+03 -0.30001E+00 -0.29918E+00 11056 0.196E+00 0.987E+01
RMM: 6 -0.385915290273E+03 0.48566E+02 -0.11148E+02 9698 0.146E+01 0.721E+01
RMM: 7 -0.786930841364E+03 -0.40102E+03 -0.42273E+02 11211 0.193E+01 0.158E+02
RMM: 8 -0.492731828900E+03 0.29420E+03 -0.98293E+01 9955 0.106E+01 0.905E+01
RMM: 9 -0.443093434793E+03 0.49638E+02 -0.66050E+01 10212 0.105E+01 0.681E+01
RMM: 10 -0.374494016595E+03 0.68599E+02 -0.32565E+01 10281 0.732E+00 0.238E+01
RMM: 11 -0.374222605725E+03 0.27141E+00 -0.19234E+01 10373 0.502E+00 0.313E+01
RMM: 12 -0.373488611471E+03 0.73399E+00 -0.47430E+00 10064 0.285E+00 0.260E+01
RMM: 13 -0.374277331310E+03 -0.78872E+00 -0.31843E+00 10202 0.251E+00 0.147E+01
RMM: 14 -0.379097922932E+03 -0.48206E+01 -0.14421E+00 10172 0.161E+00 0.157E+01
RMM: 15 -0.381289405453E+03 -0.21915E+01 -0.81548E-01 10197 0.118E+00 0.143E+01
RMM: 16 -0.386956970462E+03 -0.56676E+01 -0.16547E+00 11280 0.153E+00 0.141E+01
RMM: 17 -0.390539713456E+03 -0.35827E+01 -0.14084E+00 11130 0.138E+00 0.925E+00
RMM: 18 -0.393825689606E+03 -0.32860E+01 -0.77559E-01 10765 0.104E+00 0.722E+00
RMM: 19 -0.395891790734E+03 -0.20661E+01 -0.27500E-01 10349 0.619E-01 0.625E+00
RMM: 20 -0.398402161259E+03 -0.25104E+01 -0.51286E-01 11347 0.747E-01 0.645E+00
RMM: 21 -0.401107141809E+03 -0.27050E+01 -0.67147E-01 11903 0.834E-01 0.555E+00
RMM: 22 -0.405728775480E+03 -0.46216E+01 -0.15043E+00 13032 0.115E+00 0.465E+00
RMM: 23 -0.409520474958E+03 -0.37917E+01 -0.13260E+00 12791 0.105E+00 0.449E+00
RMM: 24 -0.411114729488E+03 -0.15943E+01 -0.45865E-01 11679 0.630E-01 0.476E+00
RMM: 25 -0.411300924627E+03 -0.18620E+00 -0.24573E-02 10656 0.166E-01 0.472E+00
RMM: 26 -0.410910335106E+03 0.39059E+00 -0.29548E-02 10425 0.200E-01 0.459E+00
RMM: 27 -0.410097701347E+03 0.81263E+00 -0.17841E-01 13101 0.497E-01 0.437E+00
RMM: 28 -0.410014868695E+03 0.82833E-01 -0.22450E-01 13990 0.578E-01 0.591E+00
RMM: 29 -0.409886310602E+03 0.12856E+00 -0.95020E-03 10317 0.129E-01 0.619E+00
RMM: 30 -0.411364165597E+03 -0.14779E+01 -0.11360E+00 16576 0.110E+00 0.601E+00
RMM: 31 -0.411846219023E+03 -0.48205E+00 -0.49455E-01 15923 0.669E-01 0.604E+00
RMM: 32 -0.413399362524E+03 -0.15531E+01 -0.17424E-01 14704 0.422E-01 0.492E+00
RMM: 33 -0.413955095661E+03 -0.55573E+00 -0.13860E-01 14132 0.397E-01 0.328E+00
RMM: 34 -0.414068069781E+03 -0.11297E+00 -0.80887E-03 10547 0.118E-01 0.309E+00
RMM: 35 -0.414405328814E+03 -0.33726E+00 -0.14273E-02 11068 0.162E-01 0.263E+00
RMM: 36 -0.414983647394E+03 -0.57832E+00 -0.27216E-02 12034 0.220E-01 0.235E+00
RMM: 37 -0.415068397128E+03 -0.84750E-01 -0.90766E-03 10664 0.123E-01 0.206E+00
RMM: 38 -0.415189743446E+03 -0.12135E+00 -0.86439E-03 10666 0.113E-01 0.162E+00
RMM: 39 -0.415377066142E+03 -0.18732E+00 -0.86051E-03 10940 0.109E-01 0.117E+00
RMM: 40 -0.415547831629E+03 -0.17077E+00 -0.41884E-03 10500 0.769E-02 0.105E+00
RMM: 41 -0.415647691179E+03 -0.99860E-01 -0.49647E-03 11092 0.745E-02 0.916E-01
RMM: 42 -0.415724387907E+03 -0.76697E-01 -0.16550E-02 12980 0.125E-01 0.578E-01
RMM: 43 -0.415784347797E+03 -0.59960E-01 -0.52606E-03 11676 0.719E-02 0.548E-01
RMM: 44 -0.415845271927E+03 -0.60924E-01 -0.73808E-03 12005 0.798E-02 0.468E-01
RMM: 45 -0.415894591587E+03 -0.49320E-01 -0.70318E-03 11995 0.763E-02 0.351E-01
RMM: 46 -0.415947884163E+03 -0.53293E-01 -0.36369E-03 11307 0.560E-02 0.279E-01
RMM: 47 -0.415983616161E+03 -0.35732E-01 -0.19801E-03 11026 0.433E-02 0.262E-01
RMM: 48 -0.416016503987E+03 -0.32888E-01 -0.16108E-03 11212 0.363E-02 0.211E-01
RMM: 49 -0.416068522543E+03 -0.52019E-01 -0.15899E-03 11551 0.334E-02 0.184E-01
RMM: 50 -0.416122702768E+03 -0.54180E-01 -0.10952E-03 11402 0.268E-02 0.153E-01
RMM: 51 -0.416157552306E+03 -0.34850E-01 -0.85503E-04 11578 0.258E-02 0.122E-01
RMM: 52 -0.416191300472E+03 -0.33748E-01 -0.57762E-04 11401 0.211E-02 0.697E-02
RMM: 53 -0.416200588859E+03 -0.92884E-02 -0.16368E-04 10072 0.118E-02 0.682E-02
RMM: 54 -0.416204101712E+03 -0.35129E-02 -0.81829E-05 9045 0.864E-03 0.525E-02
RMM: 55 -0.416206363588E+03 -0.22619E-02 -0.73625E-05 8905 0.753E-03 0.345E-02
RMM: 56 -0.416207324023E+03 -0.96043E-03 -0.28211E-05 7558 0.606E-03 0.209E-02
RMM: 57 -0.416207833222E+03 -0.50920E-03 -0.16816E-05 7034 0.413E-03 0.226E-02
RMM: 58 -0.416208026640E+03 -0.19342E-03 -0.83470E-06 6600 0.263E-03 0.159E-02
RMM: 59 -0.416208187127E+03 -0.16049E-03 -0.83208E-06 6686 0.237E-03 0.922E-03
RMM: 60 -0.416208339331E+03 -0.15220E-03 -0.50835E-06 5382 0.178E-03 0.650E-03
RMM: 61 -0.416208490263E+03 -0.15093E-03 -0.39079E-06 5002 0.156E-03 0.475E-03
RMM: 62 -0.416208551924E+03 -0.61662E-04 -0.13723E-06 3848 0.116E-03 0.383E-03
RMM: 63 -0.416208598510E+03 -0.46586E-04 -0.81023E-07 3648 0.105E-03 0.228E-03
RMM: 64 -0.416208652724E+03 -0.54214E-04 -0.13464E-06 4522 0.118E-03 0.103E-02
RMM: 65 -0.416208666024E+03 -0.13300E-04 -0.14897E-07 2652 0.856E-04 0.104E-02
RMM: 66 -0.416208667690E+03 -0.16657E-05 -0.58983E-09 2159 0.773E-04
1 F= -.45392652E+03 E0= -.45392600E+03 d E =-.156544E-02 mag= -0.0013