iterations/neb0_image01_iter16_OSZICAR.out output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
terminated
N E dE d eps ncg rms rms(c)
DAV: 1 0.144729496889E+04 0.14473E+04 -0.44194E+04 330 0.697E+02
DAV: 2 0.224177595807E+03 -0.12231E+04 -0.11460E+04 435 0.163E+02
DAV: 3 -0.363094447245E+03 -0.58727E+03 -0.58384E+03 345 0.114E+02
DAV: 4 -0.433525520247E+03 -0.70431E+02 -0.70155E+02 318 0.508E+01
DAV: 5 -0.435097667114E+03 -0.15721E+01 -0.15697E+01 318 0.779E+00 0.426E+01
DAV: 6 -0.389103328211E+03 0.45994E+02 -0.14808E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385628224973E+03 0.34751E+01 -0.13485E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.384150757790E+03 0.14775E+01 -0.20935E+00 327 0.381E+00 0.432E+00
DAV: 9 -0.383607031505E+03 0.54373E+00 -0.16677E+00 336 0.240E+00 0.138E+00
DAV: 10 -0.383544019518E+03 0.63012E-01 -0.36884E-01 318 0.114E+00 0.104E+00
DAV: 11 -0.383514656671E+03 0.29363E-01 -0.20026E-01 336 0.640E-01 0.959E-01
DAV: 12 -0.383493810855E+03 0.20846E-01 -0.24456E-01 327 0.712E-01 0.886E-01
DAV: 13 -0.383479019878E+03 0.14791E-01 -0.17459E-01 354 0.540E-01 0.745E-01
DAV: 14 -0.383465061094E+03 0.13959E-01 -0.62293E-02 345 0.397E-01 0.427E-01
DAV: 15 -0.383462476536E+03 0.25846E-02 -0.20923E-02 309 0.386E-01 0.326E-01
DAV: 16 -0.383466933595E+03 -0.44571E-02 -0.13008E-02 336 0.265E-01 0.201E-01
DAV: 17 -0.383473698138E+03 -0.67645E-02 -0.26554E-03 282 0.157E-01 0.165E-01
DAV: 18 -0.383483179288E+03 -0.94811E-02 -0.33745E-03 372 0.193E-01 0.144E-01
DAV: 19 -0.383490137266E+03 -0.69580E-02 -0.43517E-03 354 0.171E-01 0.145E-01
DAV: 20 -0.383493844553E+03 -0.37073E-02 -0.11230E-03 291 0.783E-02 0.152E-01
DAV: 21 -0.383495683684E+03 -0.18391E-02 -0.13613E-03 345 0.601E-02 0.140E-01
DAV: 22 -0.383503168457E+03 -0.74848E-02 -0.18797E-03 291 0.781E-02 0.876E-02
DAV: 23 -0.383504709241E+03 -0.15408E-02 -0.17645E-04 318 0.345E-02 0.471E-02
DAV: 24 -0.383507917741E+03 -0.32085E-02 -0.16287E-04 291 0.294E-02 0.329E-02
DAV: 25 -0.383510488695E+03 -0.25710E-02 -0.40160E-04 327 0.358E-02 0.467E-02
DAV: 26 -0.383511868924E+03 -0.13802E-02 -0.95554E-05 318 0.254E-02 0.240E-02
DAV: 27 -0.383512533266E+03 -0.66434E-03 -0.48051E-05 300 0.146E-02 0.112E-02
DAV: 28 -0.383513099572E+03 -0.56631E-03 -0.21710E-05 273 0.107E-02 0.899E-03
DAV: 29 -0.383513460313E+03 -0.36074E-03 -0.13095E-05 228 0.795E-03 0.569E-03
DAV: 30 -0.383513649058E+03 -0.18875E-03 -0.79918E-06 228 0.596E-03 0.548E-03
DAV: 31 -0.383513733970E+03 -0.84911E-04 -0.47878E-06 228 0.529E-03 0.442E-03
DAV: 32 -0.383513773159E+03 -0.39190E-04 -0.17934E-06 210 0.329E-03 0.341E-03
DAV: 33 -0.383513800939E+03 -0.27780E-04 -0.26384E-06 228 0.446E-03 0.157E-03
DAV: 34 -0.383513815599E+03 -0.14660E-04 -0.87676E-07 210 0.279E-03 0.119E-03
DAV: 35 -0.383513825661E+03 -0.10062E-04 -0.91709E-07 228 0.217E-03 0.191E-03
DAV: 36 -0.383513833553E+03 -0.78917E-05 -0.30525E-07 210 0.155E-03
1 F= -.38351383E+03 E0= -.38353049E+03 d E =0.499825E-01