./iterations/neb0_image01_iter23_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 0.423018510825E+04 0.42302E+04 -0.23862E+05 2892 0.117E+03
DAV: 2 -0.430875490442E+03 -0.46611E+04 -0.45578E+04 3360 0.329E+02
DAV: 3 -0.943417796099E+03 -0.51254E+03 -0.51034E+03 3120 0.117E+02
DAV: 4 -0.955633513780E+03 -0.12216E+02 -0.12171E+02 3192 0.195E+01
DAV: 5 -0.956029301788E+03 -0.39579E+00 -0.39526E+00 3201 0.318E+00 0.812E+01
DAV: 6 -0.847986241600E+03 0.10804E+03 -0.47119E+02 3066 0.347E+01 0.376E+01
DAV: 7 -0.847524138097E+03 0.46210E+00 -0.14355E+01 3543 0.606E+00 0.146E+01
DAV: 8 -0.847188762078E+03 0.33538E+00 -0.95787E-01 3165 0.238E+00 0.593E+00
DAV: 9 -0.847143977813E+03 0.44784E-01 -0.41103E-01 3192 0.152E+00 0.857E-01
DAV: 10 -0.847150640686E+03 -0.66629E-02 -0.71380E-02 3120 0.600E-01 0.591E-01
DAV: 11 -0.847150518106E+03 0.12258E-03 -0.64813E-03 3120 0.208E-01 0.334E-01
DAV: 12 -0.847151908695E+03 -0.13906E-02 -0.69420E-03 3057 0.245E-01 0.117E-01
DAV: 13 -0.847155202789E+03 -0.32941E-02 -0.43601E-03 3201 0.212E-01 0.134E-01
DAV: 14 -0.847159131351E+03 -0.39286E-02 -0.28634E-03 3120 0.140E-01 0.932E-02
DAV: 15 -0.847163994120E+03 -0.48628E-02 -0.12764E-03 3057 0.896E-02 0.382E-02
DAV: 16 -0.847166133579E+03 -0.21395E-02 -0.38825E-04 3111 0.483E-02 0.372E-02
DAV: 17 -0.847167166289E+03 -0.10327E-02 -0.21833E-04 3111 0.349E-02 0.258E-02
DAV: 18 -0.847167875228E+03 -0.70894E-03 -0.27656E-05 2382 0.188E-02 0.139E-02
DAV: 19 -0.847168441573E+03 -0.56634E-03 -0.42235E-05 2715 0.217E-02 0.740E-03
DAV: 20 -0.847168531469E+03 -0.89896E-04 -0.32751E-05 2679 0.143E-02 0.693E-03
DAV: 21 -0.847168566563E+03 -0.35094E-04 -0.33129E-06 2004 0.421E-03 0.598E-03
DAV: 22 -0.847168587974E+03 -0.21411E-04 -0.21718E-06 1995 0.347E-03 0.276E-03
DAV: 23 -0.847168597230E+03 -0.92564E-05 -0.17026E-06 1986 0.325E-03
1 F= -.84716860E+03 E0= -.84717246E+03 d E =0.115958E-01