./iterations/neb0_image02_iter47_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 0.423311510584E+04 0.42331E+04 -0.23865E+05 2892 0.117E+03
DAV: 2 -0.430461732878E+03 -0.46636E+04 -0.45624E+04 3366 0.329E+02
DAV: 3 -0.943314831764E+03 -0.51285E+03 -0.51065E+03 3120 0.117E+02
DAV: 4 -0.955515051753E+03 -0.12200E+02 -0.12155E+02 3183 0.195E+01
DAV: 5 -0.955915670953E+03 -0.40062E+00 -0.40007E+00 3192 0.320E+00 0.812E+01
DAV: 6 -0.847900214481E+03 0.10802E+03 -0.47065E+02 3066 0.347E+01 0.376E+01
DAV: 7 -0.847440089428E+03 0.46013E+00 -0.14420E+01 3534 0.608E+00 0.146E+01
DAV: 8 -0.847105499019E+03 0.33459E+00 -0.95973E-01 3156 0.236E+00 0.593E+00
DAV: 9 -0.847059527822E+03 0.45971E-01 -0.40850E-01 3192 0.152E+00 0.855E-01
DAV: 10 -0.847066686439E+03 -0.71586E-02 -0.73101E-02 3102 0.606E-01 0.597E-01
DAV: 11 -0.847066832204E+03 -0.14576E-03 -0.66535E-03 3120 0.207E-01 0.341E-01
DAV: 12 -0.847068469182E+03 -0.16370E-02 -0.70589E-03 3048 0.242E-01 0.118E-01
DAV: 13 -0.847072017373E+03 -0.35482E-02 -0.44685E-03 3246 0.212E-01 0.135E-01
DAV: 14 -0.847076178358E+03 -0.41610E-02 -0.29309E-03 3111 0.142E-01 0.948E-02
DAV: 15 -0.847080898788E+03 -0.47204E-02 -0.11601E-03 3129 0.827E-02 0.346E-02
DAV: 16 -0.847083305352E+03 -0.24066E-02 -0.42698E-04 3111 0.484E-02 0.376E-02
DAV: 17 -0.847084376344E+03 -0.10710E-02 -0.22186E-04 3102 0.366E-02 0.258E-02
DAV: 18 -0.847085060503E+03 -0.68416E-03 -0.31221E-05 2454 0.194E-02 0.138E-02
DAV: 19 -0.847085640425E+03 -0.57992E-03 -0.40992E-05 2688 0.216E-02 0.710E-03
DAV: 20 -0.847085746668E+03 -0.10624E-03 -0.30975E-05 2652 0.142E-02 0.644E-03
DAV: 21 -0.847085785400E+03 -0.38732E-04 -0.33478E-06 1995 0.438E-03 0.571E-03
DAV: 22 -0.847085806272E+03 -0.20872E-04 -0.19936E-06 1995 0.330E-03 0.270E-03
DAV: 23 -0.847085815543E+03 -0.92712E-05 -0.16493E-06 1986 0.315E-03
1 F= -.84708582E+03 E0= -.84708968E+03 d E =0.115958E-01