./iterations/neb0_image07_iter60_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 0.423786351414E+04 0.42379E+04 -0.23863E+05 2892 0.117E+03
DAV: 2 -0.428882291987E+03 -0.46667E+04 -0.45690E+04 3369 0.329E+02
DAV: 3 -0.942791284817E+03 -0.51391E+03 -0.51168E+03 3120 0.117E+02
DAV: 4 -0.955035932476E+03 -0.12245E+02 -0.12199E+02 3183 0.195E+01
DAV: 5 -0.955437146497E+03 -0.40121E+00 -0.40068E+00 3201 0.320E+00 0.812E+01
DAV: 6 -0.847320576560E+03 0.10812E+03 -0.47058E+02 3066 0.347E+01 0.376E+01
DAV: 7 -0.846834043702E+03 0.48653E+00 -0.14552E+01 3543 0.608E+00 0.146E+01
DAV: 8 -0.846559032859E+03 0.27501E+00 -0.94486E-01 3534 0.308E+00 0.626E+00
DAV: 9 -0.846418072038E+03 0.14096E+00 -0.91404E-01 3723 0.263E+00 0.156E+00
DAV: 10 -0.846389865047E+03 0.28207E-01 -0.26169E-01 3138 0.109E+00 0.121E+00
DAV: 11 -0.846382368461E+03 0.74966E-02 -0.76501E-02 3219 0.560E-01 0.121E+00
DAV: 12 -0.846393090117E+03 -0.10722E-01 -0.41574E-02 4326 0.640E-01 0.967E-01
DAV: 13 -0.846366252057E+03 0.26838E-01 -0.89475E-03 3669 0.495E-01 0.428E-01
DAV: 14 -0.846380413328E+03 -0.14161E-01 -0.80567E-02 3624 0.529E-01 0.154E+00
DAV: 15 -0.846360486892E+03 0.19926E-01 -0.11594E-02 3894 0.445E-01 0.566E-01
DAV: 16 -0.846361893781E+03 -0.14069E-02 -0.12675E-02 3201 0.223E-01 0.178E-01
DAV: 17 -0.846363595947E+03 -0.17022E-02 -0.52379E-03 3075 0.159E-01 0.420E-01
DAV: 18 -0.846364593159E+03 -0.99721E-03 -0.91672E-03 3453 0.176E-01 0.207E-01
DAV: 19 -0.846367571596E+03 -0.29784E-02 -0.22530E-03 3093 0.137E-01 0.259E-01
DAV: 20 -0.846369852872E+03 -0.22813E-02 -0.19308E-03 3678 0.138E-01 0.760E-02
DAV: 21 -0.846372455366E+03 -0.26025E-02 -0.19396E-03 3300 0.104E-01 0.245E-01
DAV: 22 -0.846372985375E+03 -0.53001E-03 -0.53335E-04 3111 0.496E-02 0.915E-02
DAV: 23 -0.846373991785E+03 -0.10064E-02 -0.95719E-05 3093 0.361E-02 0.111E-01
DAV: 24 -0.846374542151E+03 -0.55037E-03 -0.65464E-04 3471 0.334E-02 0.572E-02
DAV: 25 -0.846374824380E+03 -0.28223E-03 -0.70232E-05 2967 0.251E-02 0.335E-02
DAV: 26 -0.846375027219E+03 -0.20284E-03 -0.33945E-05 2553 0.160E-02 0.136E-02
DAV: 27 -0.846375099459E+03 -0.72240E-04 -0.16948E-05 2013 0.108E-02 0.103E-02
DAV: 28 -0.846375118476E+03 -0.19018E-04 -0.48233E-06 2004 0.482E-03 0.609E-03
DAV: 29 -0.846375136407E+03 -0.17931E-04 -0.14669E-06 1959 0.259E-03 0.420E-03
DAV: 30 -0.846375151165E+03 -0.14758E-04 -0.14907E-06 1941 0.267E-03 0.182E-03
DAV: 31 -0.846375155471E+03 -0.43063E-05 -0.66777E-07 1995 0.214E-03
1 F= -.84637516E+03 E0= -.84642230E+03 d E =0.141439E+00