./iterations/neb0_image08_iter44_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 0.423665066084E+04 0.42367E+04 -0.23862E+05 2892 0.117E+03
DAV: 2 -0.427999112293E+03 -0.46646E+04 -0.45657E+04 3357 0.329E+02
DAV: 3 -0.942808646201E+03 -0.51481E+03 -0.51260E+03 3120 0.118E+02
DAV: 4 -0.955093189171E+03 -0.12285E+02 -0.12238E+02 3183 0.196E+01
DAV: 5 -0.955498133201E+03 -0.40494E+00 -0.40441E+00 3219 0.321E+00 0.812E+01
DAV: 6 -0.847543121602E+03 0.10796E+03 -0.47110E+02 3093 0.348E+01 0.376E+01
DAV: 7 -0.846919579585E+03 0.62354E+00 -0.14744E+01 3507 0.641E+00 0.148E+01
DAV: 8 -0.846637112706E+03 0.28247E+00 -0.21458E+00 3165 0.345E+00 0.601E+00
DAV: 9 -0.846511042321E+03 0.12607E+00 -0.66249E-01 3318 0.199E+00 0.138E+00
DAV: 10 -0.846488903152E+03 0.22139E-01 -0.14394E-01 3417 0.125E+00 0.137E+00
DAV: 11 -0.846477315518E+03 0.11588E-01 -0.86262E-02 3660 0.863E-01 0.123E+00
DAV: 12 -0.846471774206E+03 0.55413E-02 -0.11033E-01 3624 0.677E-01 0.795E-01
DAV: 13 -0.846457048724E+03 0.14725E-01 -0.64375E-02 3138 0.665E-01 0.552E-01
DAV: 14 -0.846452703569E+03 0.43452E-02 -0.28593E-02 3489 0.335E-01 0.303E-01
DAV: 15 -0.846452281291E+03 0.42228E-03 -0.29797E-02 3255 0.455E-01 0.508E-01
DAV: 16 -0.846448646393E+03 0.36349E-02 -0.88040E-03 3111 0.195E-01 0.236E-01
DAV: 17 -0.846449697438E+03 -0.10510E-02 -0.49195E-03 3021 0.160E-01 0.120E-01
DAV: 18 -0.846451347227E+03 -0.16498E-02 -0.19445E-03 3345 0.121E-01 0.125E-01
DAV: 19 -0.846453819347E+03 -0.24721E-02 -0.18585E-03 3327 0.129E-01 0.100E-01
DAV: 20 -0.846457017324E+03 -0.31980E-02 -0.11434E-03 3093 0.777E-02 0.597E-02
DAV: 21 -0.846459051831E+03 -0.20345E-02 -0.51410E-04 3129 0.619E-02 0.641E-02
DAV: 22 -0.846460283646E+03 -0.12318E-02 -0.30918E-04 3093 0.393E-02 0.315E-02
DAV: 23 -0.846461413317E+03 -0.11297E-02 -0.10068E-04 3048 0.242E-02 0.191E-02
DAV: 24 -0.846461861455E+03 -0.44814E-03 -0.44693E-05 2346 0.197E-02 0.116E-02
DAV: 25 -0.846462149077E+03 -0.28762E-03 -0.26488E-05 2076 0.161E-02 0.720E-03
DAV: 26 -0.846462280558E+03 -0.13148E-03 -0.10474E-05 1986 0.101E-02 0.630E-03
DAV: 27 -0.846462326978E+03 -0.46419E-04 -0.66399E-06 1977 0.670E-03 0.485E-03
DAV: 28 -0.846462342434E+03 -0.15456E-04 -0.22335E-06 2004 0.306E-03 0.359E-03
DAV: 29 -0.846462360084E+03 -0.17650E-04 -0.12515E-06 1950 0.236E-03 0.197E-03
DAV: 30 -0.846462366353E+03 -0.62695E-05 -0.97856E-07 1995 0.225E-03
1 F= -.84646237E+03 E0= -.84651197E+03 d E =0.148800E+00