./iterations/neb0_image08_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 0.423686071426E+04 0.42369E+04 -0.23863E+05 2892 0.117E+03
DAV: 2 -0.428290337795E+03 -0.46652E+04 -0.45660E+04 3369 0.329E+02
DAV: 3 -0.942914374497E+03 -0.51462E+03 -0.51245E+03 3120 0.118E+02
DAV: 4 -0.955168515632E+03 -0.12254E+02 -0.12209E+02 3183 0.196E+01
DAV: 5 -0.955571394100E+03 -0.40288E+00 -0.40234E+00 3201 0.321E+00 0.813E+01
DAV: 6 -0.847601967594E+03 0.10797E+03 -0.47138E+02 3093 0.348E+01 0.376E+01
DAV: 7 -0.846983770155E+03 0.61820E+00 -0.14836E+01 3516 0.642E+00 0.148E+01
DAV: 8 -0.846672256888E+03 0.31151E+00 -0.18970E+00 3183 0.351E+00 0.606E+00
DAV: 9 -0.846598586656E+03 0.73670E-01 -0.83411E-01 3534 0.228E+00 0.153E+00
DAV: 10 -0.846551256729E+03 0.47330E-01 -0.15678E-01 3327 0.100E+00 0.145E+00
DAV: 11 -0.846518336618E+03 0.32920E-01 -0.46814E-02 3174 0.653E-01 0.103E+00
DAV: 12 -0.846515435346E+03 0.29013E-02 -0.15414E-01 4191 0.852E-01 0.100E+00
DAV: 13 -0.846507974642E+03 0.74607E-02 -0.10649E-01 3534 0.574E-01 0.884E-01
DAV: 14 -0.846502245700E+03 0.57289E-02 -0.87472E-02 3939 0.495E-01 0.622E-01
DAV: 15 -0.846495995759E+03 0.62499E-02 -0.25363E-02 3300 0.334E-01 0.380E-01
DAV: 16 -0.846494872843E+03 0.11229E-02 -0.15869E-02 3237 0.296E-01 0.365E-01
DAV: 17 -0.846495000049E+03 -0.12721E-03 -0.11579E-02 3147 0.217E-01 0.401E-01
DAV: 18 -0.846494876330E+03 0.12372E-03 -0.74697E-03 3588 0.194E-01 0.176E-01
DAV: 19 -0.846495971566E+03 -0.10952E-02 -0.22748E-03 3084 0.130E-01 0.108E-01
DAV: 20 -0.846498599818E+03 -0.26283E-02 -0.14599E-03 3048 0.104E-01 0.972E-02
DAV: 21 -0.846501489023E+03 -0.28892E-02 -0.67729E-04 3102 0.680E-02 0.893E-02
DAV: 22 -0.846503964333E+03 -0.24753E-02 -0.40634E-04 3093 0.493E-02 0.578E-02
DAV: 23 -0.846505479675E+03 -0.15153E-02 -0.30064E-04 3102 0.432E-02 0.262E-02
DAV: 24 -0.846506299361E+03 -0.81969E-03 -0.92345E-05 3111 0.212E-02 0.186E-02
DAV: 25 -0.846506742432E+03 -0.44307E-03 -0.24755E-05 2247 0.117E-02 0.106E-02
DAV: 26 -0.846507049525E+03 -0.30709E-03 -0.10864E-05 2013 0.111E-02 0.627E-03
DAV: 27 -0.846507161221E+03 -0.11170E-03 -0.10461E-05 1968 0.830E-03 0.327E-03
DAV: 28 -0.846507204654E+03 -0.43433E-04 -0.37502E-06 1995 0.550E-03 0.381E-03
DAV: 29 -0.846507222102E+03 -0.17448E-04 -0.22052E-06 1968 0.344E-03 0.209E-03
DAV: 30 -0.846507233021E+03 -0.10919E-04 -0.15912E-06 1968 0.334E-03 0.199E-03
DAV: 31 -0.846507234688E+03 -0.16673E-05 -0.73408E-07 2004 0.198E-03
1 F= -.84650723E+03 E0= -.84655715E+03 d E =0.149755E+00