./iterations/neb0_image01_iter61_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 0.423194129687E+04 0.42319E+04 -0.23864E+05 2892 0.117E+03
DAV: 2 -0.430655744314E+03 -0.46626E+04 -0.45596E+04 3360 0.329E+02
DAV: 3 -0.943497965342E+03 -0.51284E+03 -0.51063E+03 3120 0.117E+02
DAV: 4 -0.955709013088E+03 -0.12211E+02 -0.12166E+02 3183 0.195E+01
DAV: 5 -0.956110084790E+03 -0.40107E+00 -0.40052E+00 3192 0.320E+00 0.813E+01
DAV: 6 -0.848048054326E+03 0.10806E+03 -0.47098E+02 3066 0.347E+01 0.376E+01
DAV: 7 -0.847581600222E+03 0.46645E+00 -0.14376E+01 3543 0.606E+00 0.146E+01
DAV: 8 -0.847245138933E+03 0.33646E+00 -0.95489E-01 3147 0.236E+00 0.593E+00
DAV: 9 -0.847199885675E+03 0.45253E-01 -0.41046E-01 3192 0.151E+00 0.857E-01
DAV: 10 -0.847206426231E+03 -0.65406E-02 -0.70391E-02 3147 0.595E-01 0.587E-01
DAV: 11 -0.847206288848E+03 0.13738E-03 -0.64413E-03 3120 0.207E-01 0.331E-01
DAV: 12 -0.847207804818E+03 -0.15160E-02 -0.70463E-03 3048 0.243E-01 0.117E-01
DAV: 13 -0.847211215594E+03 -0.34108E-02 -0.43010E-03 3201 0.208E-01 0.134E-01
DAV: 14 -0.847215195384E+03 -0.39798E-02 -0.27934E-03 3129 0.138E-01 0.938E-02
DAV: 15 -0.847220069728E+03 -0.48743E-02 -0.12096E-03 3048 0.867E-02 0.356E-02
DAV: 16 -0.847222291165E+03 -0.22214E-02 -0.41036E-04 3147 0.476E-02 0.366E-02
DAV: 17 -0.847223348788E+03 -0.10576E-02 -0.18884E-04 3084 0.334E-02 0.245E-02
DAV: 18 -0.847224072596E+03 -0.72381E-03 -0.26985E-05 2355 0.182E-02 0.135E-02
DAV: 19 -0.847224622337E+03 -0.54974E-03 -0.40461E-05 2679 0.209E-02 0.728E-03
DAV: 20 -0.847224716630E+03 -0.94294E-04 -0.32312E-05 2688 0.145E-02 0.682E-03
DAV: 21 -0.847224750233E+03 -0.33602E-04 -0.34087E-06 2004 0.436E-03 0.594E-03
DAV: 22 -0.847224770171E+03 -0.19938E-04 -0.21102E-06 1995 0.346E-03 0.273E-03
DAV: 23 -0.847224778209E+03 -0.80386E-05 -0.16671E-06 1986 0.309E-03
1 F= -.84722478E+03 E0= -.84722864E+03 d E =0.115958E-01