./iterations/neb0_image05_iter35_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 0.424023045330E+04 0.42402E+04 -0.23862E+05 2892 0.117E+03
DAV: 2 -0.426485213421E+03 -0.46667E+04 -0.45716E+04 3360 0.329E+02
DAV: 3 -0.941596444531E+03 -0.51511E+03 -0.51284E+03 3120 0.118E+02
DAV: 4 -0.953933266236E+03 -0.12337E+02 -0.12290E+02 3183 0.196E+01
DAV: 5 -0.954338585336E+03 -0.40532E+00 -0.40477E+00 3201 0.321E+00 0.812E+01
DAV: 6 -0.846166892738E+03 0.10817E+03 -0.47037E+02 3057 0.347E+01 0.375E+01
DAV: 7 -0.845709784622E+03 0.45711E+00 -0.14603E+01 3543 0.608E+00 0.146E+01
DAV: 8 -0.845361097258E+03 0.34869E+00 -0.97386E-01 3156 0.238E+00 0.595E+00
DAV: 9 -0.845292819375E+03 0.68278E-01 -0.42890E-01 3183 0.150E+00 0.863E-01
DAV: 10 -0.845289038903E+03 0.37805E-02 -0.67121E-02 3129 0.588E-01 0.577E-01
DAV: 11 -0.845283025903E+03 0.60130E-02 -0.70805E-03 3147 0.231E-01 0.316E-01
DAV: 12 -0.845277308391E+03 0.57175E-02 -0.67710E-03 3120 0.266E-01 0.123E-01
DAV: 13 -0.845276941257E+03 0.36713E-03 -0.51700E-03 3057 0.254E-01 0.144E-01
DAV: 14 -0.845280384324E+03 -0.34431E-02 -0.38179E-03 3057 0.179E-01 0.979E-02
DAV: 15 -0.845284939045E+03 -0.45547E-02 -0.13560E-03 3255 0.124E-01 0.446E-02
DAV: 16 -0.845287184520E+03 -0.22455E-02 -0.77631E-04 3210 0.922E-02 0.508E-02
DAV: 17 -0.845287449536E+03 -0.26502E-03 -0.38923E-04 3165 0.415E-02 0.516E-02
DAV: 18 -0.845287428491E+03 0.21044E-04 -0.17704E-05 2202 0.109E-02 0.538E-02
DAV: 19 -0.845287420625E+03 0.78664E-05 -0.14913E-04 3705 0.586E-02 0.643E-02
DAV: 20 -0.845287653234E+03 -0.23261E-03 -0.23016E-04 3759 0.541E-02 0.705E-02
DAV: 21 -0.845287793457E+03 -0.14022E-03 -0.11933E-04 3678 0.487E-02 0.729E-02
DAV: 22 -0.845287770966E+03 0.22490E-04 -0.10521E-04 3147 0.340E-02 0.629E-02
DAV: 23 -0.845287759861E+03 0.11105E-04 -0.22921E-05 2589 0.919E-03 0.626E-02
DAV: 24 -0.845288099080E+03 -0.33922E-03 -0.87814E-06 1932 0.164E-02 0.620E-02
DAV: 25 -0.845285492750E+03 0.26063E-02 -0.39082E-03 4893 0.420E-01 0.292E-01
DAV: 26 -0.845286657562E+03 -0.11648E-02 -0.19522E-03 3093 0.832E-02 0.244E-01
DAV: 27 -0.845285947329E+03 0.71023E-03 -0.15552E-04 3174 0.462E-02 0.261E-01
DAV: 28 -0.845285218955E+03 0.72837E-03 -0.11235E-04 3894 0.465E-02 0.256E-01
DAV: 29 -0.845285552716E+03 -0.33376E-03 -0.40788E-05 3003 0.288E-02 0.255E-01
DAV: 30 -0.845287183390E+03 -0.16307E-02 -0.52440E-04 4677 0.118E-01 0.218E-01
DAV: 31 -0.845287388306E+03 -0.20492E-03 -0.33243E-04 3075 0.345E-02 0.235E-01
DAV: 32 -0.845287900763E+03 -0.51246E-03 -0.36975E-05 2634 0.345E-02 0.202E-01
DAV: 33 -0.845289671352E+03 -0.17706E-02 -0.13823E-03 4803 0.256E-01 0.518E-02
DAV: 34 -0.845290538675E+03 -0.86732E-03 -0.27510E-03 4056 0.198E-01 0.672E-02
DAV: 35 -0.845290832757E+03 -0.29408E-03 -0.12714E-03 3138 0.716E-02 0.976E-02
DAV: 36 -0.845290883639E+03 -0.50882E-04 -0.62763E-05 3012 0.186E-02 0.104E-01
DAV: 37 -0.845290894249E+03 -0.10610E-04 -0.70635E-06 2049 0.619E-03 0.106E-01
DAV: 38 -0.845290880344E+03 0.13904E-04 -0.11469E-06 1824 0.514E-03 0.106E-01
DAV: 39 -0.845290934968E+03 -0.54623E-04 -0.65136E-06 2148 0.217E-02 0.104E-01
DAV: 40 -0.845291030619E+03 -0.95651E-04 -0.75885E-05 3237 0.376E-02 0.100E-01
DAV: 41 -0.845291511074E+03 -0.48046E-03 -0.31674E-04 4191 0.108E-01 0.114E-01
DAV: 42 -0.845291518843E+03 -0.77691E-05 -0.22630E-04 3084 0.214E-02 0.128E-01
DAV: 43 -0.845291525160E+03 -0.63169E-05 -0.25715E-06 2013 0.301E-03
1 F= -.84529153E+03 E0= -.84529548E+03 d E =0.118530E-01