./iterations/neb0_image04_iter14_OSZICAR.out output for 745: 733-->741: H2O near HO-Si on SiO2 surface --> H-OSi + OH-Si on SiO2 surface (TSS)
Status: runningN E dE d eps ncg rms rms(c) DAV: 1 0.422797238521E+04 0.42280E+04 -0.23856E+05 2892 0.117E+03 DAV: 2 -0.428219258228E+03 -0.46562E+04 -0.45613E+04 3360 0.329E+02 DAV: 3 -0.941387365719E+03 -0.51317E+03 -0.51090E+03 3120 0.117E+02 DAV: 4 -0.953700262526E+03 -0.12313E+02 -0.12265E+02 3192 0.196E+01 DAV: 5 -0.954105976935E+03 -0.40571E+00 -0.40514E+00 3192 0.321E+00 0.810E+01 DAV: 6 -0.845721004976E+03 0.10838E+03 -0.47246E+02 3057 0.347E+01 0.375E+01 DAV: 7 -0.845283103901E+03 0.43790E+00 -0.14462E+01 3534 0.612E+00 0.146E+01 DAV: 8 -0.844960582607E+03 0.32252E+00 -0.98034E-01 3156 0.240E+00 0.597E+00 DAV: 9 -0.844918291828E+03 0.42291E-01 -0.42118E-01 3192 0.151E+00 0.857E-01 DAV: 10 -0.844922206178E+03 -0.39144E-02 -0.67086E-02 3138 0.576E-01 0.599E-01 DAV: 11 -0.844920456559E+03 0.17496E-02 -0.63736E-03 3120 0.213E-01 0.333E-01 DAV: 12 -0.844919056121E+03 0.14004E-02 -0.67512E-03 3075 0.251E-01 0.115E-01 DAV: 13 -0.844920421614E+03 -0.13655E-02 -0.43125E-03 3156 0.216E-01 0.133E-01 DAV: 14 -0.844923546097E+03 -0.31245E-02 -0.26889E-03 3048 0.135E-01 0.931E-02 DAV: 15 -0.844928139583E+03 -0.45935E-02 -0.13130E-03 3039 0.972E-02 0.411E-02 DAV: 16 -0.844930287396E+03 -0.21478E-02 -0.44641E-04 3102 0.531E-02 0.375E-02 DAV: 17 -0.844931282543E+03 -0.99515E-03 -0.22273E-04 3120 0.345E-02 0.262E-02 DAV: 18 -0.844932045286E+03 -0.76274E-03 -0.33483E-05 2481 0.192E-02 0.122E-02 DAV: 19 -0.844932608580E+03 -0.56329E-03 -0.37704E-05 2643 0.206E-02 0.684E-03 DAV: 20 -0.844932717660E+03 -0.10908E-03 -0.31006E-05 2715 0.141E-02 0.669E-03 DAV: 21 -0.844932755236E+03 -0.37575E-04 -0.33658E-06 2013 0.408E-03 0.556E-03 DAV: 22 -0.844932777597E+03 -0.22361E-04 -0.20308E-06 1977 0.288E-03 0.249E-03 DAV: 23 -0.844932794807E+03 -0.17210E-04 -0.15495E-06 2004 0.323E-03 0.935E-04 DAV: 24 -0.844932796330E+03 -0.15233E-05 -0.57665E-07 2031 0.158E-03 1 F= -.84493280E+03 E0= -.84493724E+03 d E =0.133254E-01