iterations/neb0_image08_iter11_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 0.423260595261E+04 0.42326E+04 -0.23859E+05 2892 0.117E+03
DAV: 2 -0.426075287229E+03 -0.46587E+04 -0.45594E+04 3366 0.329E+02
DAV: 3 -0.942254771813E+03 -0.51618E+03 -0.51392E+03 3120 0.118E+02
DAV: 4 -0.954633020923E+03 -0.12378E+02 -0.12333E+02 3192 0.197E+01
DAV: 5 -0.955039795790E+03 -0.40677E+00 -0.40623E+00 3165 0.323E+00 0.810E+01
DAV: 6 -0.846832875446E+03 0.10821E+03 -0.47151E+02 3057 0.347E+01 0.375E+01
DAV: 7 -0.846361942402E+03 0.47093E+00 -0.14395E+01 3543 0.602E+00 0.146E+01
DAV: 8 -0.845998490751E+03 0.36345E+00 -0.93186E-01 3165 0.232E+00 0.600E+00
DAV: 9 -0.845921019356E+03 0.77471E-01 -0.42985E-01 3174 0.150E+00 0.872E-01
DAV: 10 -0.845914468841E+03 0.65505E-02 -0.68130E-02 3120 0.580E-01 0.565E-01
DAV: 11 -0.845907029465E+03 0.74394E-02 -0.69798E-03 3147 0.236E-01 0.308E-01
DAV: 12 -0.845900071898E+03 0.69576E-02 -0.76530E-03 3183 0.292E-01 0.128E-01
DAV: 13 -0.845899349338E+03 0.72256E-03 -0.56611E-03 3093 0.265E-01 0.150E-01
DAV: 14 -0.845902612425E+03 -0.32631E-02 -0.39185E-03 3066 0.186E-01 0.102E-01
DAV: 15 -0.845907096126E+03 -0.44837E-02 -0.21006E-03 3516 0.169E-01 0.108E-01
DAV: 16 -0.845907233037E+03 -0.13691E-03 -0.10802E-03 3138 0.618E-02 0.119E-01
DAV: 17 -0.845907215759E+03 0.17279E-04 -0.23453E-05 2490 0.877E-03 0.117E-01
DAV: 18 -0.845907862817E+03 -0.64706E-03 -0.79811E-05 3147 0.346E-02 0.113E-01
DAV: 19 -0.845910112666E+03 -0.22498E-02 -0.62914E-04 3921 0.927E-02 0.153E-01
DAV: 20 -0.845911117693E+03 -0.10050E-02 -0.49710E-04 3876 0.801E-02 0.166E-01
DAV: 21 -0.845911205650E+03 -0.87956E-04 -0.22112E-04 3129 0.255E-02 0.159E-01
DAV: 22 -0.845911251808E+03 -0.46158E-04 -0.23232E-06 2004 0.507E-03 0.158E-01
DAV: 23 -0.845911681853E+03 -0.43005E-03 -0.17274E-04 3687 0.619E-02 0.139E-01
DAV: 24 -0.845913813058E+03 -0.21312E-02 -0.31245E-03 4749 0.258E-01 0.163E-01
DAV: 25 -0.845913384331E+03 0.42873E-03 -0.13922E-03 3138 0.958E-02 0.148E-01
DAV: 26 -0.845913139921E+03 0.24441E-03 -0.37438E-04 3723 0.518E-02 0.123E-01
DAV: 27 -0.845913131734E+03 0.81862E-05 -0.12027E-04 3120 0.217E-02 0.112E-01
DAV: 28 -0.845912971807E+03 0.15993E-03 -0.10646E-04 3237 0.550E-02 0.913E-02
DAV: 29 -0.845912853762E+03 0.11805E-03 -0.17098E-03 4686 0.190E-01 0.735E-02
DAV: 30 -0.845912736031E+03 0.11773E-03 -0.18334E-03 3156 0.986E-02 0.957E-02
DAV: 31 -0.845912602773E+03 0.13326E-03 -0.28581E-04 3165 0.400E-02 0.117E-01
DAV: 32 -0.845912593670E+03 0.91032E-05 -0.18839E-05 2310 0.927E-03
1 F= -.84591259E+03 E0= -.84591899E+03 d E =0.191845E-01