./iterations/neb0_image04_iter17_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 0.422986909889E+04 0.42299E+04 -0.23859E+05 2892 0.117E+03
DAV: 2 -0.428334232325E+03 -0.46582E+04 -0.45640E+04 3360 0.329E+02
DAV: 3 -0.941686743629E+03 -0.51335E+03 -0.51109E+03 3120 0.117E+02
DAV: 4 -0.953996251256E+03 -0.12310E+02 -0.12262E+02 3192 0.196E+01
DAV: 5 -0.954401603541E+03 -0.40535E+00 -0.40478E+00 3192 0.321E+00 0.810E+01
DAV: 6 -0.845953362802E+03 0.10845E+03 -0.47225E+02 3057 0.348E+01 0.376E+01
DAV: 7 -0.845528894898E+03 0.42447E+00 -0.14472E+01 3534 0.609E+00 0.146E+01
DAV: 8 -0.845205145327E+03 0.32375E+00 -0.95006E-01 3174 0.235E+00 0.602E+00
DAV: 9 -0.845134913439E+03 0.70232E-01 -0.42232E-01 3183 0.167E+00 0.135E+00
DAV: 10 -0.845143482051E+03 -0.85686E-02 -0.24752E-01 3399 0.891E-01 0.153E+00
DAV: 11 -0.845162459106E+03 -0.18977E-01 -0.73389E-03 3372 0.709E-01 0.129E+00
DAV: 12 -0.845141875676E+03 0.20583E-01 -0.23708E-02 3237 0.386E-01 0.127E+00
DAV: 13 -0.845127918095E+03 0.13958E-01 -0.39630E-02 3471 0.334E-01 0.893E-01
DAV: 14 -0.845145077513E+03 -0.17159E-01 -0.96275E-02 3750 0.536E-01 0.200E+00
DAV: 15 -0.845114809595E+03 0.30268E-01 -0.91367E-03 3255 0.437E-01 0.713E-01
DAV: 16 -0.845122573322E+03 -0.77637E-02 -0.60529E-03 2967 0.171E-01 0.663E-01
DAV: 17 -0.845123077611E+03 -0.50429E-03 -0.56627E-03 3489 0.194E-01 0.831E-01
DAV: 18 -0.845121766905E+03 0.13107E-02 -0.33277E-03 3435 0.159E-01 0.775E-01
DAV: 19 -0.845120473321E+03 0.12936E-02 -0.15117E-02 3615 0.191E-01 0.344E-01
DAV: 20 -0.845122757670E+03 -0.22843E-02 -0.40927E-03 3183 0.116E-01 0.222E-01
DAV: 21 -0.845125449822E+03 -0.26922E-02 -0.45700E-03 3183 0.101E-01 0.281E-01
DAV: 22 -0.845127254307E+03 -0.18045E-02 -0.92980E-04 3255 0.109E-01 0.197E-01
DAV: 23 -0.845128302362E+03 -0.10481E-02 -0.19669E-03 3345 0.103E-01 0.509E-02
DAV: 24 -0.845129198688E+03 -0.89633E-03 -0.55538E-04 3093 0.539E-02 0.647E-02
DAV: 25 -0.845129748639E+03 -0.54995E-03 -0.97409E-05 3120 0.228E-02 0.680E-02
DAV: 26 -0.845130179288E+03 -0.43065E-03 -0.20245E-04 2742 0.342E-02 0.615E-02
DAV: 27 -0.845130589161E+03 -0.40987E-03 -0.74462E-05 2976 0.237E-02 0.404E-02
DAV: 28 -0.845130702290E+03 -0.11313E-03 -0.30103E-05 2058 0.123E-02 0.133E-02
DAV: 29 -0.845130782077E+03 -0.79786E-04 -0.86207E-06 2049 0.875E-03 0.747E-03
DAV: 30 -0.845130843579E+03 -0.61503E-04 -0.80790E-06 1968 0.107E-02 0.327E-03
DAV: 31 -0.845130870384E+03 -0.26805E-04 -0.75739E-06 1995 0.742E-03 0.560E-03
DAV: 32 -0.845130871720E+03 -0.13366E-05 -0.20191E-06 2040 0.293E-03
1 F= -.84513087E+03 E0= -.84517640E+03 d E =0.136589E+00