./iterations/neb0_image02_iter66_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 0.423407259097E+04 0.42341E+04 -0.23866E+05 2892 0.117E+03
DAV: 2 -0.430480165986E+03 -0.46646E+04 -0.45630E+04 3366 0.329E+02
DAV: 3 -0.943373414991E+03 -0.51289E+03 -0.51068E+03 3120 0.117E+02
DAV: 4 -0.955567107494E+03 -0.12194E+02 -0.12149E+02 3183 0.195E+01
DAV: 5 -0.955967352731E+03 -0.40025E+00 -0.39970E+00 3192 0.320E+00 0.813E+01
DAV: 6 -0.847954413174E+03 0.10801E+03 -0.47051E+02 3057 0.347E+01 0.376E+01
DAV: 7 -0.847488518005E+03 0.46590E+00 -0.14413E+01 3534 0.608E+00 0.146E+01
DAV: 8 -0.847152185920E+03 0.33633E+00 -0.96319E-01 3165 0.236E+00 0.593E+00
DAV: 9 -0.847104737047E+03 0.47449E-01 -0.40818E-01 3192 0.151E+00 0.854E-01
DAV: 10 -0.847111519038E+03 -0.67820E-02 -0.72644E-02 3102 0.604E-01 0.596E-01
DAV: 11 -0.847111550840E+03 -0.31802E-04 -0.66660E-03 3120 0.207E-01 0.338E-01
DAV: 12 -0.847113091362E+03 -0.15405E-02 -0.70110E-03 3039 0.241E-01 0.118E-01
DAV: 13 -0.847116681700E+03 -0.35903E-02 -0.44953E-03 3210 0.212E-01 0.135E-01
DAV: 14 -0.847120923226E+03 -0.42415E-02 -0.29162E-03 3111 0.141E-01 0.941E-02
DAV: 15 -0.847125743810E+03 -0.48206E-02 -0.11792E-03 3102 0.833E-02 0.348E-02
DAV: 16 -0.847128123171E+03 -0.23794E-02 -0.41811E-04 3111 0.481E-02 0.374E-02
DAV: 17 -0.847129199756E+03 -0.10766E-02 -0.21425E-04 3093 0.357E-02 0.255E-02
DAV: 18 -0.847129912582E+03 -0.71283E-03 -0.31114E-05 2472 0.195E-02 0.134E-02
DAV: 19 -0.847130473727E+03 -0.56114E-03 -0.39190E-05 2706 0.212E-02 0.698E-03
DAV: 20 -0.847130581839E+03 -0.10811E-03 -0.30144E-05 2643 0.142E-02 0.641E-03
DAV: 21 -0.847130618186E+03 -0.36347E-04 -0.33615E-06 1995 0.429E-03 0.569E-03
DAV: 22 -0.847130638392E+03 -0.20207E-04 -0.19296E-06 1995 0.322E-03 0.263E-03
DAV: 23 -0.847130647656E+03 -0.92633E-05 -0.15791E-06 1986 0.316E-03
1 F= -.84713065E+03 E0= -.84713451E+03 d E =0.115958E-01