./iterations/neb0_image01_iter62_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 0.423186700430E+04 0.42319E+04 -0.23864E+05 2892 0.117E+03
DAV: 2 -0.430636301608E+03 -0.46625E+04 -0.45595E+04 3360 0.329E+02
DAV: 3 -0.943479007933E+03 -0.51284E+03 -0.51062E+03 3120 0.117E+02
DAV: 4 -0.955691174163E+03 -0.12212E+02 -0.12167E+02 3183 0.195E+01
DAV: 5 -0.956092681130E+03 -0.40151E+00 -0.40097E+00 3201 0.320E+00 0.812E+01
DAV: 6 -0.848046372055E+03 0.10805E+03 -0.47094E+02 3066 0.347E+01 0.376E+01
DAV: 7 -0.847582268086E+03 0.46410E+00 -0.14388E+01 3543 0.606E+00 0.146E+01
DAV: 8 -0.847245728433E+03 0.33654E+00 -0.96055E-01 3147 0.237E+00 0.592E+00
DAV: 9 -0.847200156355E+03 0.45572E-01 -0.41012E-01 3192 0.150E+00 0.856E-01
DAV: 10 -0.847206666360E+03 -0.65100E-02 -0.70322E-02 3138 0.594E-01 0.590E-01
DAV: 11 -0.847206549797E+03 0.11656E-03 -0.64322E-03 3120 0.207E-01 0.332E-01
DAV: 12 -0.847208069883E+03 -0.15201E-02 -0.70211E-03 3039 0.244E-01 0.117E-01
DAV: 13 -0.847211494843E+03 -0.34250E-02 -0.43553E-03 3210 0.209E-01 0.135E-01
DAV: 14 -0.847215468487E+03 -0.39736E-02 -0.27752E-03 3129 0.137E-01 0.938E-02
DAV: 15 -0.847220358911E+03 -0.48904E-02 -0.12170E-03 3048 0.863E-02 0.358E-02
DAV: 16 -0.847222565723E+03 -0.22068E-02 -0.40569E-04 3138 0.475E-02 0.367E-02
DAV: 17 -0.847223619561E+03 -0.10538E-02 -0.19364E-04 3084 0.335E-02 0.250E-02
DAV: 18 -0.847224340791E+03 -0.72123E-03 -0.27156E-05 2337 0.184E-02 0.135E-02
DAV: 19 -0.847224894857E+03 -0.55407E-03 -0.41906E-05 2706 0.212E-02 0.719E-03
DAV: 20 -0.847224987540E+03 -0.92683E-04 -0.31464E-05 2661 0.142E-02 0.680E-03
DAV: 21 -0.847225021339E+03 -0.33799E-04 -0.33960E-06 2004 0.427E-03 0.589E-03
DAV: 22 -0.847225041511E+03 -0.20172E-04 -0.21103E-06 1995 0.342E-03 0.270E-03
DAV: 23 -0.847225049845E+03 -0.83341E-05 -0.16676E-06 1977 0.311E-03
1 F= -.84722505E+03 E0= -.84722892E+03 d E =0.115958E-01