iterations/neb0_image09_iter61_OSZICAR.out output for 745: 733-->741: H2O near HO-Si on SiO2 surface --> H-OSi + OH-Si on SiO2 surface (TSS)
Status: runningN E dE d eps ncg rms rms(c) DAV: 1 0.423643645926E+04 0.42364E+04 -0.23863E+05 2892 0.117E+03 DAV: 2 -0.427796818428E+03 -0.46642E+04 -0.45642E+04 3366 0.329E+02 DAV: 3 -0.942938667306E+03 -0.51514E+03 -0.51297E+03 3120 0.118E+02 DAV: 4 -0.955234911720E+03 -0.12296E+02 -0.12251E+02 3183 0.196E+01 DAV: 5 -0.955639199471E+03 -0.40429E+00 -0.40375E+00 3192 0.321E+00 0.813E+01 DAV: 6 -0.847647499124E+03 0.10799E+03 -0.47144E+02 3066 0.348E+01 0.376E+01 DAV: 7 -0.847079747298E+03 0.56775E+00 -0.14686E+01 3507 0.627E+00 0.148E+01 DAV: 8 -0.846735940473E+03 0.34381E+00 -0.17265E+00 3237 0.355E+00 0.605E+00 DAV: 9 -0.846641910082E+03 0.94030E-01 -0.66789E-01 3219 0.197E+00 0.143E+00 DAV: 10 -0.846628830354E+03 0.13080E-01 -0.17714E-01 3534 0.130E+00 0.152E+00 DAV: 11 -0.846601645836E+03 0.27185E-01 -0.94560E-02 3660 0.922E-01 0.122E+00 DAV: 12 -0.846605307433E+03 -0.36616E-02 -0.10017E-01 3813 0.773E-01 0.805E-01 DAV: 13 -0.846587770688E+03 0.17537E-01 -0.98231E-02 3228 0.791E-01 0.712E-01 DAV: 14 -0.846583717177E+03 0.40535E-02 -0.31107E-02 3606 0.380E-01 0.432E-01 DAV: 15 -0.846582031385E+03 0.16858E-02 -0.44660E-02 3174 0.519E-01 0.514E-01 DAV: 16 -0.846578143164E+03 0.38882E-02 -0.15675E-02 3075 0.252E-01 0.178E-01 DAV: 17 -0.846579261910E+03 -0.11187E-02 -0.43932E-03 3084 0.155E-01 0.127E-01 DAV: 18 -0.846580890201E+03 -0.16283E-02 -0.20871E-03 3183 0.119E-01 0.928E-02 DAV: 19 -0.846584747442E+03 -0.38572E-02 -0.17079E-03 3066 0.124E-01 0.924E-02 DAV: 20 -0.846587171990E+03 -0.24245E-02 -0.88754E-04 3111 0.724E-02 0.626E-02 DAV: 21 -0.846588657055E+03 -0.14851E-02 -0.47965E-04 3111 0.570E-02 0.471E-02 DAV: 22 -0.846590244681E+03 -0.15876E-02 -0.25970E-04 3075 0.375E-02 0.241E-02 DAV: 23 -0.846591384151E+03 -0.11395E-02 -0.93428E-05 2922 0.239E-02 0.205E-02 DAV: 24 -0.846591823745E+03 -0.43959E-03 -0.50041E-05 2454 0.201E-02 0.147E-02 DAV: 25 -0.846592085810E+03 -0.26206E-03 -0.18565E-05 2013 0.105E-02 0.696E-03 DAV: 26 -0.846592213270E+03 -0.12746E-03 -0.76380E-06 1986 0.811E-03 0.467E-03 DAV: 27 -0.846592279831E+03 -0.66561E-04 -0.56428E-06 1959 0.749E-03 0.255E-03 DAV: 28 -0.846592304590E+03 -0.24759E-04 -0.36778E-06 2004 0.493E-03 0.233E-03 DAV: 29 -0.846592308625E+03 -0.40349E-05 -0.12625E-06 2013 0.224E-03 1 F= -.84659231E+03 E0= -.84664271E+03 d E =0.151209E+00