./iterations/neb0_image07_iter17_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 0.422873055062E+04 0.42287E+04 -0.23850E+05 2892 0.117E+03
DAV: 2 -0.424736240386E+03 -0.46535E+04 -0.45559E+04 3348 0.329E+02
DAV: 3 -0.941486029053E+03 -0.51675E+03 -0.51443E+03 3120 0.118E+02
DAV: 4 -0.953935004723E+03 -0.12449E+02 -0.12401E+02 3192 0.197E+01
DAV: 5 -0.954345546178E+03 -0.41054E+00 -0.40997E+00 3192 0.323E+00 0.809E+01
DAV: 6 -0.846590060388E+03 0.10776E+03 -0.47017E+02 3057 0.346E+01 0.374E+01
DAV: 7 -0.846115507110E+03 0.47455E+00 -0.14455E+01 3543 0.610E+00 0.146E+01
DAV: 8 -0.845747468871E+03 0.36804E+00 -0.95818E-01 3156 0.235E+00 0.599E+00
DAV: 9 -0.845665311616E+03 0.82157E-01 -0.42968E-01 3174 0.151E+00 0.875E-01
DAV: 10 -0.845657826812E+03 0.74848E-02 -0.70924E-02 3111 0.613E-01 0.574E-01
DAV: 11 -0.845649635112E+03 0.81917E-02 -0.79465E-03 3120 0.247E-01 0.311E-01
DAV: 12 -0.845642169205E+03 0.74659E-02 -0.71974E-03 3129 0.279E-01 0.130E-01
DAV: 13 -0.845641000920E+03 0.11683E-02 -0.58322E-03 3075 0.281E-01 0.152E-01
DAV: 14 -0.845644675153E+03 -0.36742E-02 -0.46723E-03 3066 0.200E-01 0.102E-01
DAV: 15 -0.845649166247E+03 -0.44911E-02 -0.15821E-03 3210 0.126E-01 0.588E-02
DAV: 16 -0.845651028102E+03 -0.18619E-02 -0.88706E-04 3210 0.100E-01 0.878E-02
DAV: 17 -0.845650995203E+03 0.32899E-04 -0.37837E-04 3255 0.533E-02 0.692E-02
DAV: 18 -0.845651235334E+03 -0.24013E-03 -0.13918E-04 2913 0.252E-02 0.628E-02
DAV: 19 -0.845651969975E+03 -0.73464E-03 -0.11242E-04 3633 0.462E-02 0.507E-02
DAV: 20 -0.845653892102E+03 -0.19221E-02 -0.10023E-03 4083 0.127E-01 0.572E-02
DAV: 21 -0.845654388859E+03 -0.49676E-03 -0.83843E-04 3138 0.749E-02 0.897E-02
DAV: 22 -0.845654463940E+03 -0.75081E-04 -0.13487E-04 3156 0.233E-02 0.992E-02
DAV: 23 -0.845654451337E+03 0.12603E-04 -0.34469E-06 2004 0.507E-03 0.100E-01
DAV: 24 -0.845654230367E+03 0.22097E-03 -0.24683E-04 3678 0.813E-02 0.868E-02
DAV: 25 -0.845654065974E+03 0.16439E-03 -0.13123E-03 4083 0.162E-01 0.107E-01
DAV: 26 -0.845653068745E+03 0.99723E-03 -0.14727E-03 4236 0.159E-01 0.234E-01
DAV: 27 -0.845653924849E+03 -0.85610E-03 -0.92861E-04 3210 0.105E-01 0.105E-01
DAV: 28 -0.845654262967E+03 -0.33812E-03 -0.22581E-04 3084 0.304E-02 0.952E-02
DAV: 29 -0.845654853931E+03 -0.59096E-03 -0.19285E-04 3930 0.796E-02 0.629E-02
DAV: 30 -0.845655239774E+03 -0.38584E-03 -0.54639E-04 3804 0.996E-02 0.503E-02
DAV: 31 -0.845655431617E+03 -0.19184E-03 -0.40338E-04 3102 0.526E-02 0.652E-02
DAV: 32 -0.845655461639E+03 -0.30021E-04 -0.60444E-05 3111 0.145E-02 0.705E-02
DAV: 33 -0.845655486248E+03 -0.24609E-04 -0.25655E-06 1977 0.751E-03 0.698E-02
DAV: 34 -0.845655549817E+03 -0.63569E-04 -0.14057E-05 2238 0.196E-02 0.685E-02
DAV: 35 -0.845655659276E+03 -0.10946E-03 -0.47639E-05 2931 0.319E-02 0.681E-02
DAV: 36 -0.845655730728E+03 -0.71452E-04 -0.45159E-05 2922 0.201E-02 0.727E-02
DAV: 37 -0.845655736756E+03 -0.60279E-05 -0.12886E-05 2229 0.638E-03
1 F= -.84565574E+03 E0= -.84565988E+03 d E =0.124341E-01