./iterations/neb0_image07_iter53_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 0.423823343473E+04 0.42382E+04 -0.23864E+05 2892 0.117E+03
DAV: 2 -0.427051024697E+03 -0.46653E+04 -0.45675E+04 3351 0.329E+02
DAV: 3 -0.942688042578E+03 -0.51564E+03 -0.51339E+03 3120 0.118E+02
DAV: 4 -0.955024878312E+03 -0.12337E+02 -0.12290E+02 3183 0.196E+01
DAV: 5 -0.955430127221E+03 -0.40525E+00 -0.40469E+00 3183 0.321E+00 0.812E+01
DAV: 6 -0.847413860520E+03 0.10802E+03 -0.47088E+02 3102 0.348E+01 0.376E+01
DAV: 7 -0.846799494724E+03 0.61437E+00 -0.14816E+01 3525 0.649E+00 0.148E+01
DAV: 8 -0.846488505545E+03 0.31099E+00 -0.99901E-01 3201 0.305E+00 0.601E+00
DAV: 9 -0.846391991450E+03 0.96514E-01 -0.75266E-01 3399 0.236E+00 0.144E+00
DAV: 10 -0.846379662925E+03 0.12329E-01 -0.19988E-01 3156 0.101E+00 0.193E+00
DAV: 11 -0.846372696455E+03 0.69665E-02 -0.62108E-02 4020 0.791E-01 0.116E+00
DAV: 12 -0.846366166177E+03 0.65303E-02 -0.77303E-02 3264 0.552E-01 0.110E+00
DAV: 13 -0.846345421143E+03 0.20745E-01 -0.31732E-02 3885 0.441E-01 0.604E-01
DAV: 14 -0.846343558742E+03 0.18624E-02 -0.24903E-02 3138 0.302E-01 0.380E-01
DAV: 15 -0.846343214229E+03 0.34451E-03 -0.10786E-02 3399 0.259E-01 0.540E-01
DAV: 16 -0.846342126197E+03 0.10880E-02 -0.21201E-02 3939 0.286E-01 0.407E-01
DAV: 17 -0.846341410046E+03 0.71615E-03 -0.89224E-03 3012 0.226E-01 0.168E-01
DAV: 18 -0.846344191017E+03 -0.27810E-02 -0.61006E-03 3156 0.184E-01 0.180E-01
DAV: 19 -0.846346838201E+03 -0.26472E-02 -0.36606E-03 3381 0.157E-01 0.124E-01
DAV: 20 -0.846348907078E+03 -0.20689E-02 -0.10333E-03 3084 0.728E-02 0.541E-02
DAV: 21 -0.846350382236E+03 -0.14752E-02 -0.31344E-04 3147 0.393E-02 0.996E-02
DAV: 22 -0.846351686169E+03 -0.13039E-02 -0.63342E-04 3174 0.419E-02 0.672E-02
DAV: 23 -0.846352320441E+03 -0.63427E-03 -0.12624E-04 2967 0.277E-02 0.309E-02
DAV: 24 -0.846352963941E+03 -0.64350E-03 -0.58831E-05 2778 0.203E-02 0.348E-02
DAV: 25 -0.846353291342E+03 -0.32740E-03 -0.90160E-05 2337 0.218E-02 0.278E-02
DAV: 26 -0.846353410389E+03 -0.11905E-03 -0.22879E-05 2292 0.126E-02 0.218E-02
DAV: 27 -0.846353460215E+03 -0.49826E-04 -0.13045E-05 1995 0.748E-03 0.703E-03
DAV: 28 -0.846353501574E+03 -0.41358E-04 -0.38113E-06 1959 0.499E-03 0.378E-03
DAV: 29 -0.846353517830E+03 -0.16256E-04 -0.30821E-06 1995 0.404E-03 0.514E-03
DAV: 30 -0.846353520116E+03 -0.22863E-05 -0.10705E-06 2013 0.251E-03
1 F= -.84635352E+03 E0= -.84640104E+03 d E =0.142560E+00