./iterations/neb0_image02_iter64_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 0.423396497579E+04 0.42340E+04 -0.23866E+05 2892 0.117E+03
DAV: 2 -0.430489306558E+03 -0.46645E+04 -0.45629E+04 3366 0.329E+02
DAV: 3 -0.943370420833E+03 -0.51288E+03 -0.51067E+03 3120 0.117E+02
DAV: 4 -0.955564280594E+03 -0.12194E+02 -0.12149E+02 3183 0.195E+01
DAV: 5 -0.955964549604E+03 -0.40027E+00 -0.39972E+00 3192 0.320E+00 0.813E+01
DAV: 6 -0.847951823675E+03 0.10801E+03 -0.47053E+02 3057 0.347E+01 0.376E+01
DAV: 7 -0.847485608593E+03 0.46622E+00 -0.14395E+01 3534 0.608E+00 0.146E+01
DAV: 8 -0.847150415273E+03 0.33519E+00 -0.95964E-01 3165 0.236E+00 0.592E+00
DAV: 9 -0.847103675998E+03 0.46739E-01 -0.40744E-01 3192 0.151E+00 0.855E-01
DAV: 10 -0.847110522002E+03 -0.68460E-02 -0.72262E-02 3102 0.603E-01 0.593E-01
DAV: 11 -0.847110599347E+03 -0.77345E-04 -0.66653E-03 3120 0.208E-01 0.336E-01
DAV: 12 -0.847112189916E+03 -0.15906E-02 -0.69589E-03 3039 0.240E-01 0.118E-01
DAV: 13 -0.847115798854E+03 -0.36089E-02 -0.44223E-03 3210 0.210E-01 0.135E-01
DAV: 14 -0.847120049353E+03 -0.42505E-02 -0.28955E-03 3111 0.141E-01 0.934E-02
DAV: 15 -0.847124863966E+03 -0.48146E-02 -0.11726E-03 3111 0.839E-02 0.345E-02
DAV: 16 -0.847127206483E+03 -0.23425E-02 -0.41340E-04 3120 0.476E-02 0.367E-02
DAV: 17 -0.847128286244E+03 -0.10798E-02 -0.20184E-04 3093 0.348E-02 0.250E-02
DAV: 18 -0.847129007297E+03 -0.72105E-03 -0.30051E-05 2454 0.193E-02 0.132E-02
DAV: 19 -0.847129547548E+03 -0.54025E-03 -0.38331E-05 2688 0.209E-02 0.686E-03
DAV: 20 -0.847129655012E+03 -0.10746E-03 -0.29554E-05 2580 0.142E-02 0.639E-03
DAV: 21 -0.847129690505E+03 -0.35493E-04 -0.35795E-06 1995 0.445E-03 0.570E-03
DAV: 22 -0.847129709742E+03 -0.19237E-04 -0.19853E-06 1995 0.329E-03 0.264E-03
DAV: 23 -0.847129718154E+03 -0.84124E-05 -0.15841E-06 1986 0.310E-03
1 F= -.84712972E+03 E0= -.84713358E+03 d E =0.115958E-01