./iterations/neb0_image09_iter19_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 0.423564814881E+04 0.42356E+04 -0.23862E+05 2892 0.117E+03
DAV: 2 -0.426606761704E+03 -0.46623E+04 -0.45618E+04 3357 0.329E+02
DAV: 3 -0.942806516744E+03 -0.51620E+03 -0.51400E+03 3120 0.118E+02
DAV: 4 -0.955180318530E+03 -0.12374E+02 -0.12328E+02 3183 0.197E+01
DAV: 5 -0.955587812605E+03 -0.40749E+00 -0.40696E+00 3192 0.323E+00 0.812E+01
DAV: 6 -0.847612983507E+03 0.10797E+03 -0.47142E+02 3066 0.348E+01 0.376E+01
DAV: 7 -0.847024194957E+03 0.58879E+00 -0.14703E+01 3498 0.632E+00 0.148E+01
DAV: 8 -0.846704899336E+03 0.31930E+00 -0.20322E+00 3201 0.374E+00 0.617E+00
DAV: 9 -0.846635705930E+03 0.69193E-01 -0.95655E-01 3579 0.257E+00 0.171E+00
DAV: 10 -0.846597350763E+03 0.38355E-01 -0.19887E-01 3327 0.109E+00 0.118E+00
DAV: 11 -0.846584577167E+03 0.12774E-01 -0.77415E-02 3219 0.751E-01 0.960E-01
DAV: 12 -0.846563947782E+03 0.20629E-01 -0.23543E-02 3660 0.559E-01 0.577E-01
DAV: 13 -0.846550434941E+03 0.13513E-01 -0.39693E-02 3669 0.705E-01 0.118E+00
DAV: 14 -0.846532267563E+03 0.18167E-01 -0.29076E-02 3606 0.527E-01 0.443E-01
DAV: 15 -0.846530631589E+03 0.16360E-02 -0.18859E-02 3210 0.295E-01 0.296E-01
DAV: 16 -0.846528772770E+03 0.18588E-02 -0.59707E-03 3246 0.297E-01 0.341E-01
DAV: 17 -0.846530101834E+03 -0.13291E-02 -0.17898E-02 3786 0.277E-01 0.334E-01
DAV: 18 -0.846529555745E+03 0.54609E-03 -0.22322E-02 3309 0.440E-01 0.317E-01
DAV: 19 -0.846529901067E+03 -0.34532E-03 -0.55564E-03 3084 0.139E-01 0.269E-01
DAV: 20 -0.846530853703E+03 -0.95264E-03 -0.35602E-03 3453 0.156E-01 0.144E-01
DAV: 21 -0.846534617248E+03 -0.37635E-02 -0.28976E-03 3048 0.163E-01 0.942E-02
DAV: 22 -0.846536749749E+03 -0.21325E-02 -0.22362E-03 3390 0.132E-01 0.151E-01
DAV: 23 -0.846538296177E+03 -0.15464E-02 -0.89890E-04 3084 0.643E-02 0.153E-01
DAV: 24 -0.846538866618E+03 -0.57044E-03 -0.43990E-04 3381 0.630E-02 0.560E-02
DAV: 25 -0.846540037683E+03 -0.11711E-02 -0.33801E-04 3075 0.437E-02 0.227E-02
DAV: 26 -0.846540563764E+03 -0.52608E-03 -0.71453E-05 3075 0.234E-02 0.253E-02
DAV: 27 -0.846540839082E+03 -0.27532E-03 -0.19809E-05 1977 0.108E-02 0.228E-02
DAV: 28 -0.846540970131E+03 -0.13105E-03 -0.20233E-05 2013 0.102E-02 0.537E-03
DAV: 29 -0.846541047438E+03 -0.77307E-04 -0.12508E-05 1986 0.851E-03 0.108E-02
DAV: 30 -0.846541069574E+03 -0.22136E-04 -0.44228E-06 1995 0.660E-03 0.323E-03
DAV: 31 -0.846541079374E+03 -0.97995E-05 -0.25532E-06 1986 0.325E-03
1 F= -.84654108E+03 E0= -.84659026E+03 d E =0.147552E+00