./iterations/neb0_image06_iter24_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 0.423218778157E+04 0.42322E+04 -0.23853E+05 2892 0.117E+03
DAV: 2 -0.424723359820E+03 -0.46569E+04 -0.45589E+04 3366 0.329E+02
DAV: 3 -0.941440686581E+03 -0.51672E+03 -0.51442E+03 3120 0.118E+02
DAV: 4 -0.953858453222E+03 -0.12418E+02 -0.12372E+02 3201 0.196E+01
DAV: 5 -0.954262987122E+03 -0.40453E+00 -0.40398E+00 3183 0.321E+00 0.809E+01
DAV: 6 -0.846492479179E+03 0.10777E+03 -0.46982E+02 3057 0.347E+01 0.374E+01
DAV: 7 -0.846045821048E+03 0.44666E+00 -0.14571E+01 3543 0.611E+00 0.145E+01
DAV: 8 -0.845689534165E+03 0.35629E+00 -0.95520E-01 3174 0.235E+00 0.601E+00
DAV: 9 -0.845613673426E+03 0.75861E-01 -0.43145E-01 3192 0.151E+00 0.871E-01
DAV: 10 -0.845606916196E+03 0.67572E-02 -0.70723E-02 3102 0.613E-01 0.576E-01
DAV: 11 -0.845599228603E+03 0.76876E-02 -0.78376E-03 3129 0.250E-01 0.314E-01
DAV: 12 -0.845591937413E+03 0.72912E-02 -0.70913E-03 3246 0.293E-01 0.141E-01
DAV: 13 -0.845588569501E+03 0.33679E-02 -0.69313E-03 3264 0.339E-01 0.254E-01
DAV: 14 -0.845589393545E+03 -0.82404E-03 -0.35059E-03 3093 0.126E-01 0.219E-01
DAV: 15 -0.845589779010E+03 -0.38546E-03 -0.74517E-04 3030 0.548E-02 0.202E-01
DAV: 16 -0.845594621562E+03 -0.48426E-02 -0.57849E-03 3435 0.196E-01 0.188E-01
DAV: 17 -0.845600602538E+03 -0.59810E-02 -0.46344E-03 3489 0.191E-01 0.289E-01
DAV: 18 -0.845603010447E+03 -0.24079E-02 -0.13369E-03 3318 0.143E-01 0.308E-01
DAV: 19 -0.845605154951E+03 -0.21445E-02 -0.14868E-03 3201 0.147E-01 0.372E-01
DAV: 20 -0.845603915264E+03 0.12397E-02 -0.92221E-04 3219 0.974E-02 0.370E-01
DAV: 21 -0.845604089605E+03 -0.17434E-03 -0.11299E-04 3048 0.168E-02 0.363E-01
DAV: 22 -0.845605523480E+03 -0.14339E-02 -0.33117E-04 4290 0.842E-02 0.406E-01
DAV: 23 -0.845602882483E+03 0.26410E-02 -0.26856E-03 4587 0.211E-01 0.271E-01
DAV: 24 -0.845600288942E+03 0.25935E-02 -0.20357E-02 4290 0.515E-01 0.283E-01
DAV: 25 -0.845599441204E+03 0.84774E-03 -0.74175E-03 3120 0.160E-01 0.317E-01
DAV: 26 -0.845596969842E+03 0.24714E-02 -0.10085E-03 4785 0.134E-01 0.301E-01
DAV: 27 -0.845596742889E+03 0.22695E-03 -0.27385E-04 3093 0.384E-02 0.275E-01
DAV: 28 -0.845597461548E+03 -0.71866E-03 -0.14847E-03 3210 0.963E-02 0.294E-01
DAV: 29 -0.845595486255E+03 0.19753E-02 -0.11093E-03 4488 0.198E-01 0.144E-01
DAV: 30 -0.845596217897E+03 -0.73164E-03 -0.29987E-04 3039 0.606E-02 0.916E-02
DAV: 31 -0.845598553461E+03 -0.23356E-02 -0.32673E-03 3525 0.190E-01 0.331E-01
DAV: 32 -0.845596737045E+03 0.18164E-02 -0.10222E-03 3426 0.122E-01 0.157E-01
DAV: 33 -0.845596881033E+03 -0.14399E-03 -0.95977E-04 3561 0.907E-02 0.611E-02
DAV: 34 -0.845597064253E+03 -0.18322E-03 -0.16640E-04 3111 0.406E-02 0.566E-02
DAV: 35 -0.845597135085E+03 -0.70833E-04 -0.27976E-05 2445 0.225E-02 0.874E-02
DAV: 36 -0.845597238857E+03 -0.10377E-03 -0.20775E-05 2553 0.270E-02 0.133E-01
DAV: 37 -0.845597240090E+03 -0.12331E-05 -0.30136E-05 2949 0.215E-02
1 F= -.84559724E+03 E0= -.84560767E+03 d E =0.312845E-01