./iterations/neb0_image05_iter18_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 0.422776774303E+04 0.42278E+04 -0.23849E+05 2892 0.117E+03
DAV: 2 -0.425240206961E+03 -0.46530E+04 -0.45573E+04 3369 0.329E+02
DAV: 3 -0.940144416298E+03 -0.51490E+03 -0.51258E+03 3120 0.118E+02
DAV: 4 -0.952542677418E+03 -0.12398E+02 -0.12353E+02 3210 0.196E+01
DAV: 5 -0.952939858878E+03 -0.39718E+00 -0.39665E+00 3174 0.318E+00 0.808E+01
DAV: 6 -0.845034245026E+03 0.10791E+03 -0.47116E+02 3066 0.347E+01 0.374E+01
DAV: 7 -0.844644358018E+03 0.38989E+00 -0.14320E+01 3525 0.610E+00 0.145E+01
DAV: 8 -0.844317432492E+03 0.32693E+00 -0.93859E-01 3156 0.235E+00 0.602E+00
DAV: 9 -0.844267257141E+03 0.50175E-01 -0.41668E-01 3192 0.151E+00 0.870E-01
DAV: 10 -0.844265458936E+03 0.17982E-02 -0.65069E-02 3138 0.574E-01 0.600E-01
DAV: 11 -0.844260511397E+03 0.49475E-02 -0.68630E-03 3129 0.227E-01 0.318E-01
DAV: 12 -0.844255661355E+03 0.48500E-02 -0.69346E-03 3129 0.282E-01 0.129E-01
DAV: 13 -0.844255373260E+03 0.28809E-03 -0.41969E-03 3201 0.212E-01 0.136E-01
DAV: 14 -0.844256276484E+03 -0.90322E-03 -0.20734E-03 3453 0.173E-01 0.150E-01
DAV: 15 -0.844256408869E+03 -0.13238E-03 -0.12157E-03 3129 0.829E-02 0.167E-01
DAV: 16 -0.844257261017E+03 -0.85215E-03 -0.20144E-04 3327 0.520E-02 0.147E-01
DAV: 17 -0.844260015844E+03 -0.27548E-02 -0.10669E-03 3813 0.115E-01 0.126E-01
DAV: 18 -0.844263790124E+03 -0.37743E-02 -0.16422E-03 3858 0.150E-01 0.112E-01
DAV: 19 -0.844265540394E+03 -0.17503E-02 -0.72091E-04 3813 0.133E-01 0.119E-01
DAV: 20 -0.844266850565E+03 -0.13102E-02 -0.76308E-04 3876 0.129E-01 0.138E-01
DAV: 21 -0.844266689783E+03 0.16078E-03 -0.64106E-04 3066 0.493E-02 0.131E-01
DAV: 22 -0.844266733962E+03 -0.44178E-04 -0.29365E-05 2715 0.956E-03 0.131E-01
DAV: 23 -0.844266785355E+03 -0.51393E-04 -0.30222E-05 2535 0.137E-02 0.138E-01
DAV: 24 -0.844265909668E+03 0.87569E-03 -0.23174E-03 4191 0.173E-01 0.163E-01
DAV: 25 -0.844264947865E+03 0.96180E-03 -0.21587E-03 4281 0.244E-01 0.228E-01
DAV: 26 -0.844264042562E+03 0.90530E-03 -0.27678E-03 3129 0.132E-01 0.304E-01
DAV: 27 -0.844264001317E+03 0.41245E-04 -0.40204E-04 3039 0.332E-02 0.330E-01
DAV: 28 -0.844264058393E+03 -0.57076E-04 -0.35406E-06 2058 0.143E-02 0.319E-01
DAV: 29 -0.844268731801E+03 -0.46734E-02 -0.23571E-02 4380 0.658E-01 0.256E-01
DAV: 30 -0.844270775799E+03 -0.20440E-02 -0.83952E-03 3138 0.169E-01 0.266E-01
DAV: 31 -0.844271449211E+03 -0.67341E-03 -0.16317E-04 3165 0.656E-02 0.253E-01
DAV: 32 -0.844272617134E+03 -0.11679E-02 -0.31759E-04 4506 0.993E-02 0.265E-01
DAV: 33 -0.844273067195E+03 -0.45006E-03 -0.37158E-04 3156 0.426E-02 0.289E-01
DAV: 34 -0.844273790860E+03 -0.72367E-03 -0.13753E-04 3804 0.518E-02 0.320E-01
DAV: 35 -0.844271857152E+03 0.19337E-02 -0.53439E-04 4110 0.147E-01 0.298E-01
DAV: 36 -0.844270305435E+03 0.15517E-02 -0.16238E-03 4281 0.150E-01 0.209E-01
DAV: 37 -0.844269568262E+03 0.73717E-03 -0.10547E-03 3984 0.120E-01 0.159E-01
DAV: 38 -0.844269099627E+03 0.46863E-03 -0.43641E-04 3417 0.907E-02 0.130E-01
DAV: 39 -0.844268955797E+03 0.14383E-03 -0.36933E-04 3120 0.475E-02 0.105E-01
DAV: 40 -0.844268717466E+03 0.23833E-03 -0.50346E-05 3120 0.481E-02 0.981E-02
DAV: 41 -0.844268066187E+03 0.65128E-03 -0.37522E-04 4542 0.122E-01 0.106E-01
DAV: 42 -0.844267504613E+03 0.56157E-03 -0.40559E-04 3732 0.843E-02 0.141E-01
DAV: 43 -0.844267545780E+03 -0.41167E-04 -0.25028E-04 3057 0.267E-02 0.125E-01
DAV: 44 -0.844267463950E+03 0.81829E-04 -0.33545E-06 1995 0.962E-03 0.133E-01
DAV: 45 -0.844267369069E+03 0.94882E-04 -0.47943E-06 2112 0.108E-02 0.137E-01
DAV: 46 -0.844267497729E+03 -0.12866E-03 -0.39060E-06 2148 0.169E-02 0.126E-01
DAV: 47 -0.844267849669E+03 -0.35194E-03 -0.71927E-05 3156 0.492E-02 0.106E-01
DAV: 48 -0.844267967403E+03 -0.11773E-03 -0.68824E-05 2967 0.162E-02 0.105E-01
DAV: 49 -0.844267910867E+03 0.56536E-04 -0.51548E-06 2031 0.116E-02 0.112E-01
DAV: 50 -0.844267934676E+03 -0.23809E-04 -0.25360E-06 1968 0.494E-03 0.108E-01
DAV: 51 -0.844268728701E+03 -0.79403E-03 -0.38628E-04 4398 0.153E-01 0.758E-02
DAV: 52 -0.844269047558E+03 -0.31886E-03 -0.45775E-04 3129 0.493E-02 0.857E-02
DAV: 53 -0.844269063811E+03 -0.16254E-04 -0.92449E-05 3093 0.160E-02 0.931E-02
DAV: 54 -0.844269055043E+03 0.87689E-05 -0.93014E-07 1797 0.294E-03
1 F= -.84426906E+03 E0= -.84427820E+03 d E =0.274207E-01