./iterations/neb0_image01_iter55_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 0.423184815635E+04 0.42318E+04 -0.23864E+05 2892 0.117E+03
DAV: 2 -0.430659092289E+03 -0.46625E+04 -0.45595E+04 3360 0.329E+02
DAV: 3 -0.943497391753E+03 -0.51284E+03 -0.51062E+03 3120 0.117E+02
DAV: 4 -0.955715720258E+03 -0.12218E+02 -0.12173E+02 3192 0.195E+01
DAV: 5 -0.956110902005E+03 -0.39518E+00 -0.39464E+00 3192 0.318E+00 0.812E+01
DAV: 6 -0.848046837931E+03 0.10806E+03 -0.47101E+02 3066 0.347E+01 0.376E+01
DAV: 7 -0.847579458727E+03 0.46738E+00 -0.14377E+01 3543 0.606E+00 0.146E+01
DAV: 8 -0.847242432141E+03 0.33703E+00 -0.95500E-01 3147 0.236E+00 0.593E+00
DAV: 9 -0.847196598379E+03 0.45834E-01 -0.41083E-01 3192 0.151E+00 0.857E-01
DAV: 10 -0.847203049162E+03 -0.64508E-02 -0.70545E-02 3120 0.596E-01 0.588E-01
DAV: 11 -0.847202856839E+03 0.19232E-03 -0.65201E-03 3120 0.208E-01 0.331E-01
DAV: 12 -0.847204309270E+03 -0.14524E-02 -0.70288E-03 3048 0.243E-01 0.117E-01
DAV: 13 -0.847207720781E+03 -0.34115E-02 -0.43433E-03 3201 0.209E-01 0.134E-01
DAV: 14 -0.847211726394E+03 -0.40056E-02 -0.28132E-03 3129 0.138E-01 0.936E-02
DAV: 15 -0.847216653226E+03 -0.49268E-02 -0.12501E-03 3048 0.882E-02 0.366E-02
DAV: 16 -0.847218818400E+03 -0.21652E-02 -0.39936E-04 3147 0.477E-02 0.366E-02
DAV: 17 -0.847219860870E+03 -0.10425E-02 -0.19219E-04 3084 0.333E-02 0.248E-02
DAV: 18 -0.847220594195E+03 -0.73332E-03 -0.26979E-05 2355 0.183E-02 0.134E-02
DAV: 19 -0.847221149217E+03 -0.55502E-03 -0.40320E-05 2697 0.211E-02 0.732E-03
DAV: 20 -0.847221244528E+03 -0.95311E-04 -0.33114E-05 2715 0.146E-02 0.693E-03
DAV: 21 -0.847221277057E+03 -0.32529E-04 -0.34218E-06 2004 0.430E-03 0.597E-03
DAV: 22 -0.847221296732E+03 -0.19675E-04 -0.20608E-06 1995 0.336E-03 0.279E-03
DAV: 23 -0.847221305437E+03 -0.87050E-05 -0.16265E-06 1977 0.311E-03
1 F= -.84722131E+03 E0= -.84722517E+03 d E =0.115958E-01