./iterations/neb0_image03_iter67_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 0.423668373292E+04 0.42367E+04 -0.23868E+05 2892 0.117E+03
DAV: 2 -0.431315156692E+03 -0.46680E+04 -0.45685E+04 3372 0.329E+02
DAV: 3 -0.943234074698E+03 -0.51192E+03 -0.50973E+03 3120 0.117E+02
DAV: 4 -0.955391287656E+03 -0.12157E+02 -0.12112E+02 3183 0.195E+01
DAV: 5 -0.955790106885E+03 -0.39882E+00 -0.39829E+00 3201 0.319E+00 0.813E+01
DAV: 6 -0.847754893751E+03 0.10804E+03 -0.47032E+02 3057 0.347E+01 0.377E+01
DAV: 7 -0.847289818709E+03 0.46508E+00 -0.14468E+01 3534 0.610E+00 0.146E+01
DAV: 8 -0.846954753923E+03 0.33506E+00 -0.96437E-01 3156 0.236E+00 0.593E+00
DAV: 9 -0.846907818090E+03 0.46936E-01 -0.40779E-01 3183 0.152E+00 0.855E-01
DAV: 10 -0.846914745080E+03 -0.69270E-02 -0.74573E-02 3120 0.613E-01 0.600E-01
DAV: 11 -0.846914772008E+03 -0.26929E-04 -0.67711E-03 3120 0.208E-01 0.344E-01
DAV: 12 -0.846916325899E+03 -0.15539E-02 -0.70017E-03 3084 0.242E-01 0.119E-01
DAV: 13 -0.846920100950E+03 -0.37751E-02 -0.45658E-03 3246 0.214E-01 0.135E-01
DAV: 14 -0.846924544710E+03 -0.44438E-02 -0.29915E-03 3075 0.143E-01 0.947E-02
DAV: 15 -0.846929220049E+03 -0.46753E-02 -0.11011E-03 3192 0.805E-02 0.337E-02
DAV: 16 -0.846931761479E+03 -0.25414E-02 -0.44979E-04 3075 0.491E-02 0.375E-02
DAV: 17 -0.846932833904E+03 -0.10724E-02 -0.21846E-04 3102 0.370E-02 0.255E-02
DAV: 18 -0.846933527096E+03 -0.69319E-03 -0.32064E-05 2508 0.194E-02 0.138E-02
DAV: 19 -0.846934113635E+03 -0.58654E-03 -0.39601E-05 2688 0.216E-02 0.701E-03
DAV: 20 -0.846934233714E+03 -0.12008E-03 -0.32130E-05 2697 0.148E-02 0.650E-03
DAV: 21 -0.846934272880E+03 -0.39166E-04 -0.35530E-06 2004 0.458E-03 0.585E-03
DAV: 22 -0.846934292681E+03 -0.19801E-04 -0.19470E-06 1986 0.317E-03 0.281E-03
DAV: 23 -0.846934302162E+03 -0.94813E-05 -0.16171E-06 1995 0.307E-03
1 F= -.84693430E+03 E0= -.84693817E+03 d E =0.115959E-01