./iterations/neb0_image07_iter15_OSZICAR.out output for 745: 733-->741: H2O near HO-Si on SiO2 surface --> H-OSi + OH-Si on SiO2 surface (TSS)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.422792343070E+04 0.42279E+04 -0.23849E+05 2892 0.117E+03
DAV: 2 -0.422896704496E+03 -0.46508E+04 -0.45527E+04 3339 0.329E+02
DAV: 3 -0.941211167681E+03 -0.51831E+03 -0.51597E+03 3120 0.118E+02
DAV: 4 -0.953754526693E+03 -0.12543E+02 -0.12495E+02 3201 0.197E+01
DAV: 5 -0.954163010525E+03 -0.40848E+00 -0.40791E+00 3174 0.322E+00 0.809E+01
DAV: 6 -0.846465258656E+03 0.10770E+03 -0.47005E+02 3057 0.346E+01 0.374E+01
DAV: 7 -0.845993254798E+03 0.47200E+00 -0.14435E+01 3543 0.611E+00 0.146E+01
DAV: 8 -0.845629682568E+03 0.36357E+00 -0.95623E-01 3165 0.235E+00 0.599E+00
DAV: 9 -0.845551159835E+03 0.78523E-01 -0.42866E-01 3174 0.151E+00 0.880E-01
DAV: 10 -0.845544159303E+03 0.70005E-02 -0.70036E-02 3111 0.618E-01 0.577E-01
DAV: 11 -0.845535892646E+03 0.82667E-02 -0.79507E-03 3120 0.254E-01 0.312E-01
DAV: 12 -0.845527334063E+03 0.85586E-02 -0.78137E-03 3435 0.325E-01 0.226E-01
DAV: 13 -0.845523502449E+03 0.38316E-02 -0.67788E-03 3120 0.232E-01 0.350E-01
DAV: 14 -0.845525763006E+03 -0.22606E-02 -0.29186E-03 3624 0.179E-01 0.263E-01
DAV: 15 -0.845527425952E+03 -0.16629E-02 -0.50983E-03 3867 0.187E-01 0.220E-01
DAV: 16 -0.845530474081E+03 -0.30481E-02 -0.31013E-03 3759 0.178E-01 0.181E-01
DAV: 17 -0.845539180086E+03 -0.87060E-02 -0.57972E-03 4650 0.356E-01 0.275E-01
DAV: 18 -0.845547167239E+03 -0.79872E-02 -0.89452E-03 3912 0.328E-01 0.437E-01
DAV: 19 -0.845543101664E+03 0.40656E-02 -0.44918E-03 3156 0.213E-01 0.397E-01
DAV: 20 -0.845543260672E+03 -0.15901E-03 -0.67916E-04 3102 0.378E-02 0.379E-01
DAV: 21 -0.845543146292E+03 0.11438E-03 -0.65948E-05 3003 0.349E-02 0.374E-01
DAV: 22 -0.845538617605E+03 0.45287E-02 -0.88005E-03 4524 0.526E-01 0.349E-01
DAV: 23 -0.845535027261E+03 0.35903E-02 -0.98345E-03 3147 0.267E-01 0.491E-01
DAV: 24 -0.845534667690E+03 0.35957E-03 -0.28247E-03 3111 0.936E-02 0.463E-01
DAV: 25 -0.845534869918E+03 -0.20223E-03 -0.45888E-05 2949 0.167E-02 0.453E-01
DAV: 26 -0.845540215137E+03 -0.53452E-02 -0.19438E-03 4578 0.298E-01 0.255E-01
DAV: 27 -0.845543305098E+03 -0.30900E-02 -0.34524E-03 3858 0.210E-01 0.266E-01
DAV: 28 -0.845545580877E+03 -0.22758E-02 -0.20464E-03 3957 0.172E-01 0.304E-01
DAV: 29 -0.845549035521E+03 -0.34546E-02 -0.13003E-03 4245 0.196E-01 0.362E-01
DAV: 30 -0.845553528747E+03 -0.44932E-02 -0.26960E-03 3768 0.225E-01 0.445E-01
DAV: 31 -0.845555818315E+03 -0.22896E-02 -0.24590E-03 3147 0.126E-01 0.512E-01
DAV: 32 -0.845555356414E+03 0.46190E-03 -0.20657E-04 3111 0.287E-02 0.514E-01
DAV: 33 -0.845555833716E+03 -0.47730E-03 -0.11183E-05 2112 0.198E-02 0.514E-01
DAV: 34 -0.845558106440E+03 -0.22727E-02 -0.28552E-04 3930 0.865E-02 0.537E-01
DAV: 35 -0.845560317130E+03 -0.22107E-02 -0.46134E-04 3975 0.812E-02 0.564E-01
DAV: 36 -0.845558079660E+03 0.22375E-02 -0.32108E-04 3534 0.737E-02 0.552E-01
DAV: 37 -0.845553814579E+03 0.42651E-02 -0.11598E-03 4443 0.162E-01 0.500E-01
DAV: 38 -0.845551183189E+03 0.26314E-02 -0.12743E-03 3939 0.130E-01 0.456E-01
DAV: 39 -0.845547904938E+03 0.32783E-02 -0.11555E-03 3813 0.185E-01 0.408E-01
DAV: 40 -0.845545490660E+03 0.24143E-02 -0.24005E-03 4209 0.191E-01 0.346E-01
DAV: 41 -0.845544855624E+03 0.63504E-03 -0.14230E-03 3120 0.982E-02 0.301E-01
DAV: 42 -0.845544684560E+03 0.17106E-03 -0.14616E-04 3102 0.285E-02 0.294E-01
DAV: 43 -0.845544238120E+03 0.44644E-03 -0.73366E-05 3003 0.460E-02 0.290E-01
DAV: 44 -0.845542908656E+03 0.13295E-02 -0.61327E-04 4416 0.132E-01 0.296E-01
DAV: 45 -0.845541661748E+03 0.12469E-02 -0.94338E-04 3948 0.116E-01 0.331E-01
DAV: 46 -0.845541581758E+03 0.79990E-04 -0.46609E-04 3057 0.372E-02 0.315E-01
DAV: 47 -0.845541743885E+03 -0.16213E-03 -0.55569E-06 2022 0.134E-02 0.304E-01
DAV: 48 -0.845541974483E+03 -0.23060E-03 -0.20676E-05 2265 0.170E-02 0.299E-01
DAV: 49 -0.845542752512E+03 -0.77803E-03 -0.12590E-04 3327 0.682E-02 0.274E-01
DAV: 50 -0.845543295611E+03 -0.54310E-03 -0.26166E-04 3561 0.518E-02 0.276E-01
DAV: 51 -0.845543341828E+03 -0.46217E-04 -0.95376E-05 3111 0.164E-02 0.290E-01
DAV: 52 -0.845543336610E+03 0.52174E-05 -0.10883E-06 1950 0.231E-03
1 F= -.84554334E+03 E0= -.84554848E+03 d E =0.154271E-01