iterations/neb0_image06_iter13_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 0.422591805599E+04 0.42259E+04 -0.23849E+05 2892 0.117E+03 DAV: 2 -0.426145518717E+03 -0.46521E+04 -0.45557E+04 3369 0.329E+02 DAV: 3 -0.940228581780E+03 -0.51408E+03 -0.51174E+03 3120 0.118E+02 DAV: 4 -0.952574129485E+03 -0.12346E+02 -0.12300E+02 3201 0.196E+01 DAV: 5 -0.952974994395E+03 -0.40086E+00 -0.40037E+00 3201 0.320E+00 0.809E+01 DAV: 6 -0.844935790009E+03 0.10804E+03 -0.47192E+02 3057 0.347E+01 0.374E+01 DAV: 7 -0.844492859423E+03 0.44293E+00 -0.14406E+01 3507 0.616E+00 0.146E+01 DAV: 8 -0.844159756723E+03 0.33310E+00 -0.92645E-01 3165 0.229E+00 0.601E+00 DAV: 9 -0.844115463918E+03 0.44293E-01 -0.41411E-01 3183 0.148E+00 0.873E-01 DAV: 10 -0.844115375085E+03 0.88833E-04 -0.70911E-02 3120 0.595E-01 0.570E-01 DAV: 11 -0.844112036863E+03 0.33382E-02 -0.73257E-03 3111 0.221E-01 0.324E-01 DAV: 12 -0.844109218853E+03 0.28180E-02 -0.68358E-03 3066 0.237E-01 0.122E-01 DAV: 13 -0.844109813834E+03 -0.59498E-03 -0.38094E-03 3102 0.202E-01 0.134E-01 DAV: 14 -0.844112980293E+03 -0.31665E-02 -0.27561E-03 3075 0.142E-01 0.899E-02 DAV: 15 -0.844117325331E+03 -0.43450E-02 -0.91929E-04 3057 0.893E-02 0.344E-02 DAV: 16 -0.844119960757E+03 -0.26354E-02 -0.59163E-04 3093 0.571E-02 0.369E-02 DAV: 17 -0.844120913415E+03 -0.95266E-03 -0.17294E-04 3129 0.318E-02 0.226E-02 DAV: 18 -0.844121606905E+03 -0.69349E-03 -0.28515E-05 2373 0.153E-02 0.126E-02 DAV: 19 -0.844122294546E+03 -0.68764E-03 -0.39195E-05 2562 0.186E-02 0.697E-03 DAV: 20 -0.844122455679E+03 -0.16113E-03 -0.25913E-05 2499 0.137E-02 0.447E-03 DAV: 21 -0.844122505170E+03 -0.49491E-04 -0.38935E-06 1995 0.451E-03 0.457E-03 DAV: 22 -0.844122530060E+03 -0.24890E-04 -0.14443E-06 1977 0.240E-03 0.270E-03 DAV: 23 -0.844122549543E+03 -0.19483E-04 -0.20251E-06 1968 0.324E-03 0.987E-04 DAV: 24 -0.844122550817E+03 -0.12740E-05 -0.77331E-07 2022 0.175E-03 1 F= -.84412255E+03 E0= -.84412642E+03 d E =0.116113E-01