./iterations/neb0_image03_iter29_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 0.423373487008E+04 0.42337E+04 -0.23865E+05 2892 0.117E+03
DAV: 2 -0.428134960635E+03 -0.46619E+04 -0.45636E+04 3348 0.329E+02
DAV: 3 -0.942821413596E+03 -0.51469E+03 -0.51244E+03 3120 0.118E+02
DAV: 4 -0.955161367730E+03 -0.12340E+02 -0.12293E+02 3183 0.196E+01
DAV: 5 -0.955568777507E+03 -0.40741E+00 -0.40687E+00 3201 0.322E+00 0.812E+01
DAV: 6 -0.847374682912E+03 0.10819E+03 -0.47106E+02 3057 0.347E+01 0.376E+01
DAV: 7 -0.846896127648E+03 0.47856E+00 -0.14408E+01 3534 0.612E+00 0.146E+01
DAV: 8 -0.846567258923E+03 0.32887E+00 -0.96637E-01 3165 0.238E+00 0.595E+00
DAV: 9 -0.846525603435E+03 0.41655E-01 -0.41044E-01 3183 0.152E+00 0.859E-01
DAV: 10 -0.846532696714E+03 -0.70933E-02 -0.71844E-02 3111 0.603E-01 0.599E-01
DAV: 11 -0.846532775099E+03 -0.78384E-04 -0.66400E-03 3111 0.210E-01 0.340E-01
DAV: 12 -0.846534089119E+03 -0.13140E-02 -0.66228E-03 3057 0.240E-01 0.117E-01
DAV: 13 -0.846537424058E+03 -0.33349E-02 -0.42195E-03 3210 0.209E-01 0.132E-01
DAV: 14 -0.846541441342E+03 -0.40173E-02 -0.28457E-03 3093 0.140E-01 0.920E-02
DAV: 15 -0.846545998222E+03 -0.45569E-02 -0.11353E-03 3084 0.873E-02 0.350E-02
DAV: 16 -0.846548271892E+03 -0.22737E-02 -0.41627E-04 3102 0.496E-02 0.363E-02
DAV: 17 -0.846549333564E+03 -0.10617E-02 -0.21670E-04 3102 0.365E-02 0.248E-02
DAV: 18 -0.846549995226E+03 -0.66166E-03 -0.29190E-05 2481 0.191E-02 0.134E-02
DAV: 19 -0.846550535018E+03 -0.53979E-03 -0.39530E-05 2679 0.213E-02 0.673E-03
DAV: 20 -0.846550633397E+03 -0.98379E-04 -0.28830E-05 2607 0.136E-02 0.642E-03
DAV: 21 -0.846550677086E+03 -0.43688E-04 -0.33181E-06 2004 0.470E-03 0.561E-03
DAV: 22 -0.846550699417E+03 -0.22331E-04 -0.22811E-06 1986 0.369E-03 0.255E-03
DAV: 23 -0.846550707363E+03 -0.79464E-05 -0.16251E-06 2004 0.309E-03
1 F= -.84655071E+03 E0= -.84655457E+03 d E =0.115959E-01