./iterations/neb0_image03_iter65_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 0.423680317923E+04 0.42368E+04 -0.23868E+05 2892 0.117E+03
DAV: 2 -0.431317154015E+03 -0.46681E+04 -0.45688E+04 3372 0.329E+02
DAV: 3 -0.943259032411E+03 -0.51194E+03 -0.50975E+03 3120 0.117E+02
DAV: 4 -0.955415461270E+03 -0.12156E+02 -0.12111E+02 3183 0.195E+01
DAV: 5 -0.955814241254E+03 -0.39878E+00 -0.39825E+00 3201 0.319E+00 0.813E+01
DAV: 6 -0.847742411824E+03 0.10807E+03 -0.47040E+02 3057 0.347E+01 0.377E+01
DAV: 7 -0.847275122527E+03 0.46729E+00 -0.14483E+01 3534 0.611E+00 0.146E+01
DAV: 8 -0.846940731787E+03 0.33439E+00 -0.96823E-01 3156 0.237E+00 0.593E+00
DAV: 9 -0.846893568733E+03 0.47163E-01 -0.40701E-01 3192 0.152E+00 0.854E-01
DAV: 10 -0.846900248269E+03 -0.66795E-02 -0.74230E-02 3120 0.612E-01 0.598E-01
DAV: 11 -0.846900184931E+03 0.63338E-04 -0.67283E-03 3120 0.209E-01 0.341E-01
DAV: 12 -0.846901643694E+03 -0.14588E-02 -0.69780E-03 3084 0.242E-01 0.119E-01
DAV: 13 -0.846905382073E+03 -0.37384E-02 -0.45394E-03 3255 0.213E-01 0.136E-01
DAV: 14 -0.846909818136E+03 -0.44361E-02 -0.29863E-03 3075 0.143E-01 0.944E-02
DAV: 15 -0.846914456214E+03 -0.46381E-02 -0.10798E-03 3174 0.806E-02 0.334E-02
DAV: 16 -0.846917032165E+03 -0.25760E-02 -0.45588E-04 3084 0.494E-02 0.369E-02
DAV: 17 -0.846918135661E+03 -0.11035E-02 -0.21635E-04 3120 0.370E-02 0.254E-02
DAV: 18 -0.846918819094E+03 -0.68343E-03 -0.31753E-05 2490 0.197E-02 0.137E-02
DAV: 19 -0.846919388356E+03 -0.56926E-03 -0.40535E-05 2688 0.218E-02 0.679E-03
DAV: 20 -0.846919504022E+03 -0.11567E-03 -0.31156E-05 2679 0.145E-02 0.661E-03
DAV: 21 -0.846919543792E+03 -0.39770E-04 -0.34924E-06 1995 0.458E-03 0.579E-03
DAV: 22 -0.846919563658E+03 -0.19866E-04 -0.20727E-06 1995 0.325E-03 0.268E-03
DAV: 23 -0.846919572842E+03 -0.91846E-05 -0.15444E-06 1986 0.302E-03
1 F= -.84691957E+03 E0= -.84692344E+03 d E =0.115959E-01