./iterations/neb0_image04_iter50_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 0.423819231332E+04 0.42382E+04 -0.23868E+05 2892 0.117E+03
DAV: 2 -0.428588131923E+03 -0.46668E+04 -0.45707E+04 3357 0.329E+02
DAV: 3 -0.942736917707E+03 -0.51415E+03 -0.51191E+03 3120 0.117E+02
DAV: 4 -0.955054796334E+03 -0.12318E+02 -0.12271E+02 3192 0.196E+01
DAV: 5 -0.955460340409E+03 -0.40554E+00 -0.40499E+00 3210 0.321E+00 0.813E+01
DAV: 6 -0.847250629315E+03 0.10821E+03 -0.47070E+02 3057 0.347E+01 0.377E+01
DAV: 7 -0.846783048823E+03 0.46758E+00 -0.14496E+01 3534 0.612E+00 0.146E+01
DAV: 8 -0.846451619414E+03 0.33143E+00 -0.96742E-01 3165 0.237E+00 0.595E+00
DAV: 9 -0.846404528338E+03 0.47091E-01 -0.40863E-01 3192 0.151E+00 0.854E-01
DAV: 10 -0.846410141272E+03 -0.56129E-02 -0.74713E-02 3120 0.613E-01 0.602E-01
DAV: 11 -0.846409363794E+03 0.77748E-03 -0.65661E-03 3120 0.208E-01 0.349E-01
DAV: 12 -0.846409726663E+03 -0.36287E-03 -0.72847E-03 3066 0.246E-01 0.121E-01
DAV: 13 -0.846412729646E+03 -0.30030E-02 -0.44586E-03 3246 0.215E-01 0.138E-01
DAV: 14 -0.846416858793E+03 -0.41291E-02 -0.31838E-03 3075 0.151E-01 0.980E-02
DAV: 15 -0.846421453871E+03 -0.45951E-02 -0.11174E-03 3138 0.882E-02 0.345E-02
DAV: 16 -0.846424114279E+03 -0.26604E-02 -0.49062E-04 3084 0.534E-02 0.377E-02
DAV: 17 -0.846425245218E+03 -0.11309E-02 -0.23836E-04 3147 0.391E-02 0.262E-02
DAV: 18 -0.846425887716E+03 -0.64250E-03 -0.32283E-05 2481 0.194E-02 0.140E-02
DAV: 19 -0.846426507265E+03 -0.61955E-03 -0.41272E-05 2688 0.221E-02 0.714E-03
DAV: 20 -0.846426613985E+03 -0.10672E-03 -0.32184E-05 2706 0.141E-02 0.642E-03
DAV: 21 -0.846426661945E+03 -0.47960E-04 -0.32976E-06 1986 0.464E-03 0.560E-03
DAV: 22 -0.846426686388E+03 -0.24443E-04 -0.22718E-06 1995 0.338E-03 0.254E-03
DAV: 23 -0.846426695611E+03 -0.92229E-05 -0.15570E-06 1977 0.298E-03
1 F= -.84642670E+03 E0= -.84643056E+03 d E =0.115959E-01