./iterations/neb0_image02_iter41_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 0.423330275173E+04 0.42333E+04 -0.23865E+05 2892 0.117E+03
DAV: 2 -0.430536131531E+03 -0.46638E+04 -0.45628E+04 3366 0.329E+02
DAV: 3 -0.943374683838E+03 -0.51284E+03 -0.51064E+03 3120 0.117E+02
DAV: 4 -0.955570772820E+03 -0.12196E+02 -0.12151E+02 3183 0.195E+01
DAV: 5 -0.955971260025E+03 -0.40049E+00 -0.39994E+00 3192 0.320E+00 0.813E+01
DAV: 6 -0.847872805191E+03 0.10810E+03 -0.47087E+02 3066 0.347E+01 0.376E+01
DAV: 7 -0.847409197649E+03 0.46361E+00 -0.14444E+01 3534 0.609E+00 0.146E+01
DAV: 8 -0.847076529888E+03 0.33267E+00 -0.96058E-01 3174 0.236E+00 0.593E+00
DAV: 9 -0.847031815379E+03 0.44715E-01 -0.40816E-01 3192 0.151E+00 0.856E-01
DAV: 10 -0.847039085691E+03 -0.72703E-02 -0.73478E-02 3111 0.607E-01 0.595E-01
DAV: 11 -0.847039261096E+03 -0.17541E-03 -0.66588E-03 3120 0.207E-01 0.341E-01
DAV: 12 -0.847040940515E+03 -0.16794E-02 -0.70426E-03 3039 0.240E-01 0.119E-01
DAV: 13 -0.847044441480E+03 -0.35010E-02 -0.43231E-03 3237 0.209E-01 0.135E-01
DAV: 14 -0.847048543622E+03 -0.41021E-02 -0.29135E-03 3093 0.142E-01 0.945E-02
DAV: 15 -0.847053237641E+03 -0.46940E-02 -0.11314E-03 3120 0.835E-02 0.341E-02
DAV: 16 -0.847055667935E+03 -0.24303E-02 -0.43816E-04 3120 0.487E-02 0.368E-02
DAV: 17 -0.847056751716E+03 -0.10838E-02 -0.20717E-04 3093 0.357E-02 0.249E-02
DAV: 18 -0.847057428690E+03 -0.67697E-03 -0.29403E-05 2409 0.190E-02 0.137E-02
DAV: 19 -0.847057989303E+03 -0.56061E-03 -0.40145E-05 2670 0.214E-02 0.693E-03
DAV: 20 -0.847058092189E+03 -0.10289E-03 -0.30359E-05 2634 0.140E-02 0.642E-03
DAV: 21 -0.847058131780E+03 -0.39591E-04 -0.33536E-06 1986 0.453E-03 0.573E-03
DAV: 22 -0.847058152452E+03 -0.20672E-04 -0.20995E-06 1995 0.347E-03 0.265E-03
DAV: 23 -0.847058160521E+03 -0.80688E-05 -0.16733E-06 1986 0.312E-03
1 F= -.84705816E+03 E0= -.84706203E+03 d E =0.115958E-01