./iterations/neb0_image03_iter41_OSZICAR.out output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.151034830422E+04 0.15103E+04 -0.43528E+04 322 0.697E+02
DAV: 2 0.254386635504E+03 -0.12560E+04 -0.11784E+04 428 0.164E+02
DAV: 3 -0.354513753581E+03 -0.60890E+03 -0.60477E+03 348 0.118E+02
DAV: 4 -0.433155303971E+03 -0.78642E+02 -0.78317E+02 308 0.536E+01
DAV: 5 -0.435019198915E+03 -0.18639E+01 -0.18606E+01 332 0.832E+00 0.426E+01
DAV: 6 -0.389196003078E+03 0.45823E+02 -0.14856E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385740944170E+03 0.34551E+01 -0.12548E+01 340 0.778E+00 0.104E+01
DAV: 8 -0.384318262564E+03 0.14227E+01 -0.19605E+00 332 0.372E+00 0.419E+00
DAV: 9 -0.383783112226E+03 0.53515E+00 -0.94388E-01 324 0.201E+00 0.131E+00
DAV: 10 -0.383728750645E+03 0.54362E-01 -0.39857E-01 364 0.920E-01 0.877E-01
DAV: 11 -0.383701480922E+03 0.27270E-01 -0.12159E-01 324 0.554E-01 0.911E-01
DAV: 12 -0.383680474039E+03 0.21007E-01 -0.13331E-01 348 0.401E-01 0.557E-01
DAV: 13 -0.383668395005E+03 0.12079E-01 -0.15381E-01 324 0.564E-01 0.936E-01
DAV: 14 -0.383660441215E+03 0.79538E-02 -0.31113E-01 340 0.478E-01 0.389E-01
DAV: 15 -0.383663189787E+03 -0.27486E-02 -0.80015E-03 292 0.294E-01 0.375E-01
DAV: 16 -0.383669063654E+03 -0.58739E-02 -0.15789E-02 324 0.309E-01 0.121E-01
DAV: 17 -0.383680060596E+03 -0.10997E-01 -0.65226E-03 348 0.297E-01 0.252E-01
DAV: 18 -0.383682828826E+03 -0.27682E-02 -0.25427E-03 316 0.144E-01 0.124E-01
DAV: 19 -0.383686891890E+03 -0.40631E-02 -0.47062E-04 340 0.843E-02 0.137E-01
DAV: 20 -0.383691434662E+03 -0.45428E-02 -0.87167E-04 380 0.128E-01 0.865E-02
DAV: 21 -0.383690887125E+03 0.54754E-03 -0.33836E-04 324 0.543E-02 0.844E-02
DAV: 22 -0.383691664357E+03 -0.77723E-03 -0.12617E-04 300 0.283E-02 0.822E-02
DAV: 23 -0.383694089548E+03 -0.24252E-02 -0.23097E-03 372 0.197E-01 0.106E-01
DAV: 24 -0.383697755660E+03 -0.36661E-02 -0.45290E-03 380 0.235E-01 0.156E-01
DAV: 25 -0.383697907177E+03 -0.15152E-03 -0.13376E-03 324 0.840E-02 0.186E-01
DAV: 26 -0.383697863769E+03 0.43408E-04 -0.24354E-05 316 0.115E-02 0.183E-01
DAV: 27 -0.383698044810E+03 -0.18104E-03 -0.77455E-06 220 0.869E-03 0.186E-01
DAV: 28 -0.383699736272E+03 -0.16915E-02 -0.90981E-04 380 0.100E-01 0.252E-01
DAV: 29 -0.383698992343E+03 0.74393E-03 -0.22622E-04 332 0.487E-02 0.226E-01
DAV: 30 -0.383699074596E+03 -0.82253E-04 -0.23935E-05 316 0.125E-02 0.225E-01
DAV: 31 -0.383701800722E+03 -0.27261E-02 -0.18781E-03 380 0.156E-01 0.326E-01
DAV: 32 -0.383700481718E+03 0.13190E-02 -0.22395E-03 396 0.205E-01 0.261E-01
DAV: 33 -0.383702619893E+03 -0.21382E-02 -0.84461E-03 404 0.373E-01 0.287E-01
DAV: 34 -0.383702170925E+03 0.44897E-03 -0.14323E-02 348 0.393E-01 0.170E-01
DAV: 35 -0.383703483657E+03 -0.13127E-02 -0.63049E-03 332 0.192E-01 0.233E-01
DAV: 36 -0.383703273161E+03 0.21050E-03 -0.39405E-03 348 0.112E-01 0.142E-01
DAV: 37 -0.383703527808E+03 -0.25465E-03 -0.38174E-04 324 0.530E-02 0.147E-01
DAV: 38 -0.383705557511E+03 -0.20297E-02 -0.29188E-03 300 0.118E-01 0.261E-01
DAV: 39 -0.383706929503E+03 -0.13720E-02 -0.16322E-02 380 0.275E-01 0.118E-01
DAV: 40 -0.383707152843E+03 -0.22334E-03 -0.99673E-04 308 0.127E-01 0.130E-01
DAV: 41 -0.383709010978E+03 -0.18581E-02 -0.26422E-03 372 0.190E-01 0.282E-01
DAV: 42 -0.383708863023E+03 0.14795E-03 -0.12433E-02 388 0.197E-01 0.122E-01
DAV: 43 -0.383709311175E+03 -0.44815E-03 -0.11901E-03 316 0.725E-02 0.118E-01
DAV: 44 -0.383709431107E+03 -0.11993E-03 -0.10480E-04 356 0.250E-02 0.119E-01
DAV: 45 -0.383709369870E+03 0.61237E-04 -0.96098E-06 244 0.256E-02 0.107E-01
DAV: 46 -0.383709560618E+03 -0.19075E-03 -0.21113E-04 300 0.333E-02 0.118E-01
DAV: 47 -0.383709535917E+03 0.24700E-04 -0.17172E-05 284 0.123E-02 0.116E-01
DAV: 48 -0.383709530134E+03 0.57831E-05 -0.26128E-06 228 0.494E-03
1 F= -.38370953E+03 E0= -.38373144E+03 d E =0.657388E-01