./iterations/neb0_image09_iter2_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 0.423534658629E+04 0.42353E+04 -0.23862E+05 2892 0.117E+03
DAV: 2 -0.426041140952E+03 -0.46614E+04 -0.45610E+04 3360 0.329E+02
DAV: 3 -0.942111797061E+03 -0.51607E+03 -0.51383E+03 3120 0.118E+02
DAV: 4 -0.954493811034E+03 -0.12382E+02 -0.12337E+02 3183 0.197E+01
DAV: 5 -0.954902608845E+03 -0.40880E+00 -0.40827E+00 3210 0.323E+00 0.813E+01
DAV: 6 -0.846691644000E+03 0.10821E+03 -0.47128E+02 3057 0.347E+01 0.377E+01
DAV: 7 -0.846198893311E+03 0.49275E+00 -0.14464E+01 3552 0.606E+00 0.146E+01
DAV: 8 -0.845832853183E+03 0.36604E+00 -0.95403E-01 3156 0.233E+00 0.599E+00
DAV: 9 -0.845754700592E+03 0.78153E-01 -0.42946E-01 3183 0.152E+00 0.879E-01
DAV: 10 -0.845747862719E+03 0.68379E-02 -0.67245E-02 3138 0.592E-01 0.601E-01
DAV: 11 -0.845737162431E+03 0.10700E-01 -0.90530E-03 3156 0.282E-01 0.468E-01
DAV: 12 -0.845731900005E+03 0.52624E-02 -0.90443E-03 3228 0.272E-01 0.538E-01
DAV: 13 -0.845726257311E+03 0.56427E-02 -0.48231E-03 3120 0.254E-01 0.597E-01
DAV: 14 -0.845721158727E+03 0.50986E-02 -0.72595E-03 3300 0.256E-01 0.225E-01
DAV: 15 -0.845720199968E+03 0.95876E-03 -0.33211E-03 3255 0.203E-01 0.217E-01
DAV: 16 -0.845720948462E+03 -0.74849E-03 -0.13250E-03 3039 0.894E-02 0.207E-01
DAV: 17 -0.845721460510E+03 -0.51205E-03 -0.50019E-04 3435 0.693E-02 0.188E-01
DAV: 18 -0.845724444950E+03 -0.29844E-02 -0.32653E-03 4317 0.347E-01 0.163E-01
DAV: 19 -0.845729706571E+03 -0.52616E-02 -0.79857E-03 3831 0.375E-01 0.234E-01
DAV: 20 -0.845735213551E+03 -0.55070E-02 -0.45345E-03 3903 0.381E-01 0.330E-01
DAV: 21 -0.845737555532E+03 -0.23420E-02 -0.63437E-03 3120 0.191E-01 0.437E-01
DAV: 22 -0.845737750591E+03 -0.19506E-03 -0.52139E-04 3102 0.391E-02 0.454E-01
DAV: 23 -0.845737460822E+03 0.28977E-03 -0.19185E-05 2256 0.443E-02 0.446E-01
DAV: 24 -0.845732413415E+03 0.50474E-02 -0.12403E-02 4740 0.806E-01 0.355E-01
DAV: 25 -0.845732653122E+03 -0.23971E-03 -0.12093E-02 3120 0.206E-01 0.328E-01
DAV: 26 -0.845732212723E+03 0.44040E-03 -0.11480E-03 3525 0.904E-02 0.327E-01
DAV: 27 -0.845730369094E+03 0.18436E-02 -0.69769E-04 4434 0.175E-01 0.352E-01
DAV: 28 -0.845729461097E+03 0.90800E-03 -0.10568E-03 3561 0.106E-01 0.315E-01
DAV: 29 -0.845729549238E+03 -0.88141E-04 -0.38398E-04 3084 0.354E-02 0.294E-01
DAV: 30 -0.845730129178E+03 -0.57994E-03 -0.18179E-04 3174 0.516E-02 0.314E-01
DAV: 31 -0.845731164757E+03 -0.10356E-02 -0.49126E-04 4074 0.124E-01 0.363E-01
DAV: 32 -0.845730571480E+03 0.59328E-03 -0.15558E-04 3840 0.147E-01 0.419E-01
DAV: 33 -0.845730801905E+03 -0.23043E-03 -0.44278E-04 3093 0.408E-02 0.409E-01
DAV: 34 -0.845731569583E+03 -0.76768E-03 0.92850E-05 2661 0.953E-02 0.385E-01
DAV: 35 -0.845731045740E+03 0.52384E-03 -0.10569E-03 4668 0.224E-01 0.293E-01
DAV: 36 -0.845731370835E+03 -0.32510E-03 -0.28542E-03 3984 0.222E-01 0.170E-01
DAV: 37 -0.845732063897E+03 -0.69306E-03 -0.14141E-03 3174 0.122E-01 0.189E-01
DAV: 38 -0.845732180408E+03 -0.11651E-03 -0.32677E-04 3120 0.421E-02 0.203E-01
DAV: 39 -0.845732248387E+03 -0.67979E-04 -0.19794E-05 2193 0.182E-02 0.203E-01
DAV: 40 -0.845732026281E+03 0.22211E-03 -0.93117E-06 2049 0.487E-02 0.205E-01
DAV: 41 -0.845732010298E+03 0.15983E-04 -0.14576E-05 2013 0.720E-03 0.205E-01
DAV: 42 -0.845732238079E+03 -0.22778E-03 0.59420E-08 2040 0.464E-02 0.208E-01
DAV: 43 -0.845731312619E+03 0.92546E-03 -0.15345E-04 4488 0.291E-01 0.228E-01
DAV: 44 -0.845728638395E+03 0.26742E-02 0.89280E-05 4515 0.364E-01 0.272E-01
DAV: 45 -0.845728565769E+03 0.72626E-04 -0.19152E-03 3102 0.683E-02 0.258E-01
DAV: 46 -0.845728526326E+03 0.39443E-04 -0.43244E-05 2958 0.120E-02 0.256E-01
DAV: 47 -0.845728603767E+03 -0.77441E-04 -0.27743E-06 1932 0.653E-03 0.256E-01
DAV: 48 -0.845728083500E+03 0.52027E-03 0.96800E-06 2058 0.463E-02 0.270E-01
DAV: 49 -0.845727039328E+03 0.10442E-02 -0.95465E-05 3858 0.931E-02 0.320E-01
DAV: 50 -0.845727021896E+03 0.17432E-04 -0.12053E-04 3075 0.209E-02 0.310E-01
DAV: 51 -0.845727393566E+03 -0.37167E-03 -0.16307E-05 2436 0.332E-02 0.295E-01
DAV: 52 -0.845728207185E+03 -0.81362E-03 -0.24212E-04 3984 0.834E-02 0.261E-01
DAV: 53 -0.845728249759E+03 -0.42574E-04 -0.27032E-04 2985 0.289E-02 0.280E-01
DAV: 54 -0.845728954392E+03 -0.70463E-03 -0.27921E-04 3570 0.611E-02 0.282E-01
DAV: 55 -0.845728989957E+03 -0.35565E-04 -0.17391E-04 3093 0.248E-02 0.295E-01
DAV: 56 -0.845729491043E+03 -0.50109E-03 -0.95292E-05 2958 0.733E-02 0.267E-01
DAV: 57 -0.845730715907E+03 -0.12249E-02 -0.26939E-04 3966 0.123E-01 0.270E-01
DAV: 58 -0.845731111228E+03 -0.39532E-03 -0.60281E-04 3093 0.587E-02 0.290E-01
DAV: 59 -0.845731281060E+03 -0.16983E-03 -0.11823E-04 3129 0.205E-02 0.305E-01
DAV: 60 -0.845731485101E+03 -0.20404E-03 -0.78992E-06 2049 0.213E-02 0.308E-01
DAV: 61 -0.845731105091E+03 0.38001E-03 0.63661E-06 2544 0.539E-02 0.321E-01
DAV: 62 -0.845732427405E+03 -0.13223E-02 -0.28254E-04 4029 0.103E-01 0.352E-01
DAV: 63 -0.845732336204E+03 0.91201E-04 -0.13549E-04 3129 0.228E-02 0.353E-01
DAV: 64 -0.845732458139E+03 -0.12193E-03 -0.25883E-05 2175 0.938E-03 0.365E-01
DAV: 65 -0.845732415076E+03 0.43063E-04 -0.23056E-06 1743 0.303E-03 0.363E-01
DAV: 66 -0.845730813740E+03 0.16013E-02 -0.19858E-04 3408 0.150E-01 0.350E-01
DAV: 67 -0.845730737590E+03 0.76150E-04 -0.29265E-04 3102 0.262E-02 0.332E-01
DAV: 68 -0.845731263277E+03 -0.52569E-03 0.64985E-05 2130 0.649E-02 0.319E-01
DAV: 69 -0.845731341760E+03 -0.78483E-04 -0.13382E-04 3435 0.603E-02 0.272E-01
DAV: 70 -0.845731322048E+03 0.19712E-04 -0.64565E-05 3030 0.137E-02 0.267E-01
DAV: 71 -0.845731231317E+03 0.90731E-04 -0.10826E-04 3021 0.310E-02 0.234E-01
DAV: 72 -0.845731184148E+03 0.47169E-04 -0.18636E-05 2157 0.101E-02 0.233E-01
DAV: 73 -0.845731451208E+03 -0.26706E-03 0.34947E-06 2220 0.606E-02 0.216E-01
DAV: 74 -0.845731709844E+03 -0.25864E-03 -0.12228E-04 3786 0.795E-02 0.188E-01
DAV: 75 -0.845732095703E+03 -0.38586E-03 -0.75629E-05 3507 0.760E-02 0.189E-01
DAV: 76 -0.845732696391E+03 -0.60069E-03 -0.76614E-06 3228 0.136E-01 0.193E-01
DAV: 77 -0.845733749610E+03 -0.10532E-02 -0.30672E-04 4461 0.221E-01 0.213E-01
DAV: 78 -0.845733933375E+03 -0.18377E-03 -0.94839E-04 3120 0.516E-02 0.239E-01
DAV: 79 -0.845733937892E+03 -0.45162E-05 -0.23350E-05 2328 0.906E-03
1 F= -.84573394E+03 E0= -.84574919E+03 d E =0.457544E-01