./iterations/neb0_image02_iter26_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 0.423190677005E+04 0.42319E+04 -0.23864E+05 2892 0.117E+03
DAV: 2 -0.429150340182E+03 -0.46611E+04 -0.45601E+04 3348 0.329E+02
DAV: 3 -0.943119591171E+03 -0.51397E+03 -0.51175E+03 3120 0.117E+02
DAV: 4 -0.955428837522E+03 -0.12309E+02 -0.12263E+02 3183 0.196E+01
DAV: 5 -0.955834186861E+03 -0.40535E+00 -0.40479E+00 3192 0.321E+00 0.812E+01
DAV: 6 -0.847724500176E+03 0.10811E+03 -0.47108E+02 3066 0.347E+01 0.376E+01
DAV: 7 -0.847259559955E+03 0.46494E+00 -0.14421E+01 3543 0.609E+00 0.146E+01
DAV: 8 -0.846927573947E+03 0.33199E+00 -0.96345E-01 3174 0.237E+00 0.594E+00
DAV: 9 -0.846883936553E+03 0.43637E-01 -0.41002E-01 3183 0.152E+00 0.856E-01
DAV: 10 -0.846890986201E+03 -0.70496E-02 -0.72295E-02 3120 0.604E-01 0.595E-01
DAV: 11 -0.846891098213E+03 -0.11201E-03 -0.65658E-03 3102 0.209E-01 0.339E-01
DAV: 12 -0.846892627974E+03 -0.15298E-02 -0.68832E-03 3057 0.241E-01 0.117E-01
DAV: 13 -0.846896049407E+03 -0.34214E-02 -0.42939E-03 3174 0.209E-01 0.133E-01
DAV: 14 -0.846900086893E+03 -0.40375E-02 -0.29018E-03 3084 0.142E-01 0.935E-02
DAV: 15 -0.846904717692E+03 -0.46308E-02 -0.11213E-03 3102 0.850E-02 0.343E-02
DAV: 16 -0.846907098161E+03 -0.23805E-02 -0.43112E-04 3093 0.487E-02 0.364E-02
DAV: 17 -0.846908195387E+03 -0.10972E-02 -0.20486E-04 3093 0.356E-02 0.245E-02
DAV: 18 -0.846908872211E+03 -0.67682E-03 -0.29329E-05 2472 0.189E-02 0.134E-02
DAV: 19 -0.846909418901E+03 -0.54669E-03 -0.38062E-05 2679 0.209E-02 0.690E-03
DAV: 20 -0.846909519118E+03 -0.10022E-03 -0.28997E-05 2562 0.139E-02 0.620E-03
DAV: 21 -0.846909558591E+03 -0.39473E-04 -0.35482E-06 1995 0.469E-03 0.559E-03
DAV: 22 -0.846909578492E+03 -0.19901E-04 -0.20232E-06 1995 0.351E-03 0.273E-03
DAV: 23 -0.846909586333E+03 -0.78409E-05 -0.17705E-06 1986 0.322E-03
1 F= -.84690959E+03 E0= -.84691345E+03 d E =0.115958E-01