./iterations/neb0_image02_iter68_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 0.423433578036E+04 0.42343E+04 -0.23866E+05 2892 0.117E+03
DAV: 2 -0.430508518831E+03 -0.46648E+04 -0.45631E+04 3366 0.329E+02
DAV: 3 -0.943397390259E+03 -0.51289E+03 -0.51068E+03 3120 0.117E+02
DAV: 4 -0.955587240959E+03 -0.12190E+02 -0.12145E+02 3183 0.195E+01
DAV: 5 -0.955987745103E+03 -0.40050E+00 -0.39997E+00 3201 0.320E+00 0.813E+01
DAV: 6 -0.847965413279E+03 0.10802E+03 -0.47052E+02 3057 0.347E+01 0.376E+01
DAV: 7 -0.847496489005E+03 0.46892E+00 -0.14399E+01 3534 0.608E+00 0.146E+01
DAV: 8 -0.847159807863E+03 0.33668E+00 -0.95940E-01 3165 0.236E+00 0.593E+00
DAV: 9 -0.847112511538E+03 0.47296E-01 -0.40815E-01 3192 0.151E+00 0.855E-01
DAV: 10 -0.847119174208E+03 -0.66627E-02 -0.72392E-02 3102 0.604E-01 0.593E-01
DAV: 11 -0.847119152512E+03 0.21696E-04 -0.66882E-03 3120 0.208E-01 0.336E-01
DAV: 12 -0.847120661874E+03 -0.15094E-02 -0.69630E-03 3048 0.240E-01 0.118E-01
DAV: 13 -0.847124266699E+03 -0.36048E-02 -0.44498E-03 3210 0.211E-01 0.135E-01
DAV: 14 -0.847128540898E+03 -0.42742E-02 -0.29220E-03 3111 0.142E-01 0.934E-02
DAV: 15 -0.847133365435E+03 -0.48245E-02 -0.11733E-03 3129 0.843E-02 0.346E-02
DAV: 16 -0.847135713733E+03 -0.23483E-02 -0.41304E-04 3111 0.475E-02 0.367E-02
DAV: 17 -0.847136799412E+03 -0.10857E-02 -0.20386E-04 3084 0.350E-02 0.250E-02
DAV: 18 -0.847137522820E+03 -0.72341E-03 -0.30109E-05 2454 0.194E-02 0.133E-02
DAV: 19 -0.847138069755E+03 -0.54693E-03 -0.38989E-05 2706 0.210E-02 0.694E-03
DAV: 20 -0.847138176282E+03 -0.10653E-03 -0.30309E-05 2634 0.143E-02 0.651E-03
DAV: 21 -0.847138211300E+03 -0.35019E-04 -0.34884E-06 2004 0.435E-03 0.577E-03
DAV: 22 -0.847138230601E+03 -0.19301E-04 -0.19557E-06 1986 0.324E-03 0.269E-03
DAV: 23 -0.847138239347E+03 -0.87459E-05 -0.16098E-06 1986 0.312E-03
1 F= -.84713824E+03 E0= -.84714210E+03 d E =0.115958E-01