./iterations/neb0_image03_iter56_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 0.423610029623E+04 0.42361E+04 -0.23867E+05 2892 0.117E+03
DAV: 2 -0.430131574776E+03 -0.46662E+04 -0.45666E+04 3363 0.329E+02
DAV: 3 -0.943078217035E+03 -0.51295E+03 -0.51074E+03 3120 0.117E+02
DAV: 4 -0.955311162215E+03 -0.12233E+02 -0.12187E+02 3183 0.195E+01
DAV: 5 -0.955713289933E+03 -0.40213E+00 -0.40159E+00 3201 0.321E+00 0.813E+01
DAV: 6 -0.847671659413E+03 0.10804E+03 -0.47038E+02 3057 0.347E+01 0.376E+01
DAV: 7 -0.847208936115E+03 0.46272E+00 -0.14457E+01 3534 0.609E+00 0.146E+01
DAV: 8 -0.846874580901E+03 0.33436E+00 -0.96377E-01 3165 0.236E+00 0.593E+00
DAV: 9 -0.846829101736E+03 0.45479E-01 -0.40751E-01 3192 0.153E+00 0.855E-01
DAV: 10 -0.846835990909E+03 -0.68892E-02 -0.75109E-02 3120 0.612E-01 0.603E-01
DAV: 11 -0.846835922353E+03 0.68555E-04 -0.67147E-03 3129 0.206E-01 0.349E-01
DAV: 12 -0.846837328569E+03 -0.14062E-02 -0.71071E-03 3057 0.243E-01 0.120E-01
DAV: 13 -0.846840987510E+03 -0.36589E-02 -0.45571E-03 3246 0.214E-01 0.136E-01
DAV: 14 -0.846845369996E+03 -0.43825E-02 -0.30125E-03 3075 0.144E-01 0.962E-02
DAV: 15 -0.846850051005E+03 -0.46810E-02 -0.10957E-03 3183 0.806E-02 0.339E-02
DAV: 16 -0.846852669142E+03 -0.26181E-02 -0.47470E-04 3075 0.503E-02 0.383E-02
DAV: 17 -0.846853731637E+03 -0.10625E-02 -0.22443E-04 3138 0.378E-02 0.258E-02
DAV: 18 -0.846854399395E+03 -0.66776E-03 -0.32233E-05 2526 0.191E-02 0.142E-02
DAV: 19 -0.846855011036E+03 -0.61164E-03 -0.39896E-05 2652 0.219E-02 0.725E-03
DAV: 20 -0.846855130201E+03 -0.11917E-03 -0.33375E-05 2715 0.149E-02 0.640E-03
DAV: 21 -0.846855172614E+03 -0.42413E-04 -0.34416E-06 2004 0.466E-03 0.576E-03
DAV: 22 -0.846855194620E+03 -0.22006E-04 -0.20504E-06 1986 0.332E-03 0.273E-03
DAV: 23 -0.846855204393E+03 -0.97732E-05 -0.16514E-06 1986 0.312E-03
1 F= -.84685520E+03 E0= -.84685907E+03 d E =0.115959E-01