./iterations/neb0_image07_iter34_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 0.423648633039E+04 0.42365E+04 -0.23860E+05 2892 0.117E+03
DAV: 2 -0.424990361567E+03 -0.46615E+04 -0.45633E+04 3342 0.329E+02
DAV: 3 -0.942309343790E+03 -0.51732E+03 -0.51503E+03 3120 0.118E+02
DAV: 4 -0.954756559521E+03 -0.12447E+02 -0.12401E+02 3201 0.197E+01
DAV: 5 -0.955155372513E+03 -0.39881E+00 -0.39828E+00 3192 0.318E+00 0.812E+01
DAV: 6 -0.847147852335E+03 0.10801E+03 -0.47044E+02 3057 0.347E+01 0.376E+01
DAV: 7 -0.846630395365E+03 0.51746E+00 -0.14506E+01 3525 0.612E+00 0.146E+01
DAV: 8 -0.846300565762E+03 0.32983E+00 -0.12065E+00 3210 0.274E+00 0.609E+00
DAV: 9 -0.846234130912E+03 0.66435E-01 -0.51707E-01 3201 0.190E+00 0.116E+00
DAV: 10 -0.846203493805E+03 0.30637E-01 -0.11013E-01 3255 0.896E-01 0.818E-01
DAV: 11 -0.846188154831E+03 0.15339E-01 -0.22828E-02 3147 0.538E-01 0.936E-01
DAV: 12 -0.846183135151E+03 0.50197E-02 -0.93886E-03 3075 0.202E-01 0.881E-01
DAV: 13 -0.846178749104E+03 0.43860E-02 -0.43833E-03 3318 0.163E-01 0.102E+00
DAV: 14 -0.846171674721E+03 0.70744E-02 -0.30197E-03 3318 0.177E-01 0.801E-01
DAV: 15 -0.846210739982E+03 -0.39065E-01 -0.28388E-01 3876 0.126E+00 0.141E+00
DAV: 16 -0.846197648149E+03 0.13092E-01 -0.29368E-02 3246 0.398E-01 0.120E+00
DAV: 17 -0.846176511832E+03 0.21136E-01 -0.26271E-02 3318 0.403E-01 0.110E+00
DAV: 18 -0.846160307449E+03 0.16204E-01 -0.13426E-02 3507 0.331E-01 0.766E-01
DAV: 19 -0.846154907750E+03 0.53997E-02 -0.20604E-02 3930 0.344E-01 0.394E-01
DAV: 20 -0.846156754096E+03 -0.18463E-02 -0.70059E-03 3003 0.255E-01 0.432E-01
DAV: 21 -0.846157115039E+03 -0.36094E-03 -0.63025E-03 3210 0.172E-01 0.404E-01
DAV: 22 -0.846157519171E+03 -0.40413E-03 -0.20076E-03 3066 0.103E-01 0.253E-01
DAV: 23 -0.846159923175E+03 -0.24040E-02 -0.24545E-03 3129 0.127E-01 0.128E-01
DAV: 24 -0.846163248110E+03 -0.33249E-02 -0.14337E-03 3093 0.989E-02 0.128E-01
DAV: 25 -0.846165354388E+03 -0.21063E-02 -0.10079E-03 3165 0.746E-02 0.178E-01
DAV: 26 -0.846166273422E+03 -0.91903E-03 -0.12512E-03 3120 0.874E-02 0.997E-02
DAV: 27 -0.846167953872E+03 -0.16805E-02 -0.18925E-03 3363 0.105E-01 0.185E-01
DAV: 28 -0.846167689467E+03 0.26441E-03 -0.29041E-04 3138 0.418E-02 0.142E-01
DAV: 29 -0.846167663936E+03 0.25531E-04 -0.34607E-05 2409 0.134E-02 0.128E-01
DAV: 30 -0.846167617442E+03 0.46494E-04 -0.23168E-05 2076 0.132E-02 0.108E-01
DAV: 31 -0.846168101964E+03 -0.48452E-03 -0.62656E-04 3030 0.565E-02 0.107E-01
DAV: 32 -0.846168288506E+03 -0.18654E-03 -0.25801E-04 3129 0.363E-02 0.108E-01
DAV: 33 -0.846168239132E+03 0.49375E-04 -0.74863E-05 2607 0.245E-02 0.686E-02
DAV: 34 -0.846168248804E+03 -0.96725E-05 -0.14602E-04 2715 0.317E-02 0.256E-02
DAV: 35 -0.846168321796E+03 -0.72992E-04 -0.65211E-05 3039 0.172E-02 0.290E-02
DAV: 36 -0.846168333537E+03 -0.11740E-04 -0.12145E-05 1995 0.895E-03 0.281E-02
DAV: 37 -0.846168363649E+03 -0.30112E-04 -0.24314E-05 2067 0.115E-02 0.260E-02
DAV: 38 -0.846168374986E+03 -0.11337E-04 -0.59734E-06 1995 0.556E-03 0.247E-02
DAV: 39 -0.846168375101E+03 -0.11520E-06 -0.41381E-06 1995 0.492E-03
1 F= -.84616838E+03 E0= -.84621586E+03 d E =0.142461E+00