./iterations/neb0_image09_iter5_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 0.423354093522E+04 0.42335E+04 -0.23859E+05 2892 0.117E+03
DAV: 2 -0.426592794648E+03 -0.46601E+04 -0.45593E+04 3366 0.329E+02
DAV: 3 -0.942439077316E+03 -0.51585E+03 -0.51360E+03 3120 0.118E+02
DAV: 4 -0.954804528941E+03 -0.12365E+02 -0.12320E+02 3192 0.196E+01
DAV: 5 -0.955212183601E+03 -0.40765E+00 -0.40713E+00 3201 0.323E+00 0.811E+01
DAV: 6 -0.847311899791E+03 0.10790E+03 -0.47057E+02 3057 0.347E+01 0.376E+01
DAV: 7 -0.846830951385E+03 0.48095E+00 -0.14354E+01 3525 0.602E+00 0.146E+01
DAV: 8 -0.846436750312E+03 0.39420E+00 -0.97017E-01 3156 0.243E+00 0.609E+00
DAV: 9 -0.846463908724E+03 -0.27158E-01 -0.87586E-01 4182 0.314E+00 0.180E+00
DAV: 10 -0.846387264039E+03 0.76645E-01 -0.23390E-01 3336 0.132E+00 0.146E+00
DAV: 11 -0.846365669993E+03 0.21594E-01 -0.21561E-01 3399 0.997E-01 0.166E+00
DAV: 12 -0.846351041486E+03 0.14629E-01 -0.49307E-02 3462 0.543E-01 0.108E+00
DAV: 13 -0.846325801826E+03 0.25240E-01 -0.27528E-02 3858 0.615E-01 0.638E-01
DAV: 14 -0.846321449772E+03 0.43521E-02 -0.65837E-02 3246 0.437E-01 0.584E-01
DAV: 15 -0.846315248750E+03 0.62010E-02 -0.18009E-02 3471 0.306E-01 0.290E-01
DAV: 16 -0.846312937709E+03 0.23110E-02 -0.15430E-02 3066 0.309E-01 0.327E-01
DAV: 17 -0.846312811156E+03 0.12655E-03 -0.29915E-02 3390 0.285E-01 0.349E-01
DAV: 18 -0.846312805995E+03 0.51613E-05 -0.37118E-03 3048 0.135E-01 0.183E-01
DAV: 19 -0.846314869354E+03 -0.20634E-02 -0.16630E-03 3066 0.765E-02 0.896E-02
DAV: 20 -0.846318854403E+03 -0.39850E-02 -0.11656E-03 3057 0.788E-02 0.831E-02
DAV: 21 -0.846320796367E+03 -0.19420E-02 -0.56058E-04 3138 0.545E-02 0.488E-02
DAV: 22 -0.846322904541E+03 -0.21082E-02 -0.32284E-04 3084 0.382E-02 0.377E-02
DAV: 23 -0.846324025550E+03 -0.11210E-02 -0.12711E-04 3066 0.252E-02 0.252E-02
DAV: 24 -0.846324582685E+03 -0.55713E-03 -0.50133E-05 2400 0.204E-02 0.220E-02
DAV: 25 -0.846325008773E+03 -0.42609E-03 -0.35811E-05 2409 0.150E-02 0.126E-02
DAV: 26 -0.846325164228E+03 -0.15545E-03 -0.30575E-05 2085 0.117E-02 0.114E-02
DAV: 27 -0.846325227939E+03 -0.63711E-04 -0.10864E-05 2013 0.774E-03 0.161E-02
DAV: 28 -0.846325246835E+03 -0.18897E-04 -0.52907E-06 2004 0.449E-03 0.943E-03
DAV: 29 -0.846325259288E+03 -0.12453E-04 -0.63439E-06 1977 0.457E-03 0.208E-03
DAV: 30 -0.846325270176E+03 -0.10888E-04 -0.11650E-06 1959 0.233E-03 0.155E-03
DAV: 31 -0.846325274464E+03 -0.42876E-05 -0.39734E-07 1986 0.144E-03
1 F= -.84632527E+03 E0= -.84637283E+03 d E =0.142673E+00