./iterations/neb0_image02_iter58_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 0.423383299049E+04 0.42338E+04 -0.23866E+05 2892 0.117E+03
DAV: 2 -0.430488047179E+03 -0.46643E+04 -0.45629E+04 3366 0.329E+02
DAV: 3 -0.943378049674E+03 -0.51289E+03 -0.51068E+03 3120 0.117E+02
DAV: 4 -0.955572809245E+03 -0.12195E+02 -0.12150E+02 3183 0.195E+01
DAV: 5 -0.955973074971E+03 -0.40027E+00 -0.39972E+00 3192 0.320E+00 0.813E+01
DAV: 6 -0.847936015051E+03 0.10804E+03 -0.47062E+02 3066 0.347E+01 0.376E+01
DAV: 7 -0.847470704971E+03 0.46531E+00 -0.14416E+01 3543 0.608E+00 0.146E+01
DAV: 8 -0.847135875297E+03 0.33483E+00 -0.95907E-01 3165 0.236E+00 0.593E+00
DAV: 9 -0.847089411811E+03 0.46463E-01 -0.40895E-01 3192 0.151E+00 0.855E-01
DAV: 10 -0.847096434231E+03 -0.70224E-02 -0.72717E-02 3102 0.605E-01 0.592E-01
DAV: 11 -0.847096531449E+03 -0.97218E-04 -0.66836E-03 3120 0.208E-01 0.337E-01
DAV: 12 -0.847098133003E+03 -0.16016E-02 -0.69824E-03 3048 0.239E-01 0.118E-01
DAV: 13 -0.847101712734E+03 -0.35797E-02 -0.43789E-03 3219 0.209E-01 0.135E-01
DAV: 14 -0.847105951106E+03 -0.42384E-02 -0.29169E-03 3120 0.142E-01 0.934E-02
DAV: 15 -0.847110708970E+03 -0.47579E-02 -0.11341E-03 3129 0.833E-02 0.339E-02
DAV: 16 -0.847113116407E+03 -0.24074E-02 -0.42496E-04 3102 0.479E-02 0.363E-02
DAV: 17 -0.847114220815E+03 -0.11044E-02 -0.20128E-04 3093 0.351E-02 0.247E-02
DAV: 18 -0.847114920092E+03 -0.69928E-03 -0.29865E-05 2454 0.192E-02 0.132E-02
DAV: 19 -0.847115465238E+03 -0.54515E-03 -0.38714E-05 2679 0.211E-02 0.679E-03
DAV: 20 -0.847115568524E+03 -0.10329E-03 -0.29558E-05 2607 0.140E-02 0.645E-03
DAV: 21 -0.847115605745E+03 -0.37221E-04 -0.34309E-06 1995 0.444E-03 0.568E-03
DAV: 22 -0.847115625500E+03 -0.19755E-04 -0.20798E-06 1995 0.338E-03 0.260E-03
DAV: 23 -0.847115633475E+03 -0.79747E-05 -0.16375E-06 1986 0.310E-03
1 F= -.84711563E+03 E0= -.84711950E+03 d E =0.115958E-01