./iterations/neb0_image02_iter61_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 0.423377862168E+04 0.42338E+04 -0.23866E+05 2892 0.117E+03
DAV: 2 -0.430510301070E+03 -0.46643E+04 -0.45628E+04 3366 0.329E+02
DAV: 3 -0.943375396382E+03 -0.51287E+03 -0.51066E+03 3120 0.117E+02
DAV: 4 -0.955568928316E+03 -0.12194E+02 -0.12148E+02 3183 0.195E+01
DAV: 5 -0.955969189288E+03 -0.40026E+00 -0.39971E+00 3192 0.320E+00 0.812E+01
DAV: 6 -0.847932741569E+03 0.10804E+03 -0.47062E+02 3066 0.347E+01 0.376E+01
DAV: 7 -0.847468877009E+03 0.46386E+00 -0.14423E+01 3534 0.608E+00 0.146E+01
DAV: 8 -0.847135068520E+03 0.33381E+00 -0.95925E-01 3165 0.236E+00 0.593E+00
DAV: 9 -0.847089277242E+03 0.45791E-01 -0.40808E-01 3192 0.151E+00 0.855E-01
DAV: 10 -0.847096374821E+03 -0.70976E-02 -0.72205E-02 3102 0.602E-01 0.593E-01
DAV: 11 -0.847096535140E+03 -0.16032E-03 -0.66341E-03 3120 0.207E-01 0.338E-01
DAV: 12 -0.847098222576E+03 -0.16874E-02 -0.70086E-03 3048 0.240E-01 0.118E-01
DAV: 13 -0.847101806855E+03 -0.35843E-02 -0.43667E-03 3237 0.208E-01 0.135E-01
DAV: 14 -0.847105976778E+03 -0.41699E-02 -0.28574E-03 3111 0.140E-01 0.940E-02
DAV: 15 -0.847110721014E+03 -0.47442E-02 -0.11228E-03 3138 0.825E-02 0.338E-02
DAV: 16 -0.847113157322E+03 -0.24363E-02 -0.43886E-04 3111 0.483E-02 0.367E-02
DAV: 17 -0.847114247891E+03 -0.10906E-02 -0.19923E-04 3084 0.351E-02 0.248E-02
DAV: 18 -0.847114935901E+03 -0.68801E-03 -0.29796E-05 2427 0.189E-02 0.134E-02
DAV: 19 -0.847115494949E+03 -0.55905E-03 -0.38807E-05 2679 0.211E-02 0.690E-03
DAV: 20 -0.847115599303E+03 -0.10435E-03 -0.30055E-05 2625 0.141E-02 0.640E-03
DAV: 21 -0.847115637608E+03 -0.38305E-04 -0.34220E-06 1986 0.450E-03 0.569E-03
DAV: 22 -0.847115657660E+03 -0.20052E-04 -0.20817E-06 1995 0.340E-03 0.264E-03
DAV: 23 -0.847115665741E+03 -0.80818E-05 -0.16595E-06 1986 0.309E-03
1 F= -.84711567E+03 E0= -.84711953E+03 d E =0.115958E-01