iterations/neb0_image02_iter29_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 0.144788240142E+04 0.14479E+04 -0.44192E+04 330 0.697E+02
DAV: 2 0.224376862640E+03 -0.12235E+04 -0.11469E+04 435 0.163E+02
DAV: 3 -0.362859967803E+03 -0.58724E+03 -0.58411E+03 345 0.114E+02
DAV: 4 -0.433449453418E+03 -0.70589E+02 -0.70352E+02 309 0.508E+01
DAV: 5 -0.435033388529E+03 -0.15839E+01 -0.15813E+01 318 0.781E+00 0.426E+01
DAV: 6 -0.389086488915E+03 0.45947E+02 -0.14800E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385622915609E+03 0.34636E+01 -0.13523E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.384144308324E+03 0.14786E+01 -0.20740E+00 327 0.383E+00 0.432E+00
DAV: 9 -0.383605380165E+03 0.53893E+00 -0.15690E+00 345 0.240E+00 0.139E+00
DAV: 10 -0.383548029267E+03 0.57351E-01 -0.48675E-01 318 0.118E+00 0.101E+00
DAV: 11 -0.383505870501E+03 0.42159E-01 -0.10469E-01 336 0.669E-01 0.806E-01
DAV: 12 -0.383493307781E+03 0.12563E-01 -0.96546E-02 345 0.699E-01 0.110E+00
DAV: 13 -0.383474170780E+03 0.19137E-01 -0.25834E-01 354 0.575E-01 0.825E-01
DAV: 14 -0.383462515393E+03 0.11655E-01 -0.97031E-02 327 0.398E-01 0.510E-01
DAV: 15 -0.383458549773E+03 0.39656E-02 -0.27609E-02 318 0.328E-01 0.387E-01
DAV: 16 -0.383459368617E+03 -0.81884E-03 -0.85150E-03 309 0.298E-01 0.263E-01
DAV: 17 -0.383467606006E+03 -0.82374E-02 -0.55111E-03 318 0.207E-01 0.260E-01
DAV: 18 -0.383479640771E+03 -0.12035E-01 -0.36654E-03 327 0.222E-01 0.142E-01
DAV: 19 -0.383487754791E+03 -0.81140E-02 -0.22797E-03 309 0.126E-01 0.165E-01
DAV: 20 -0.383493286000E+03 -0.55312E-02 -0.51431E-04 372 0.608E-02 0.115E-01
DAV: 21 -0.383500290764E+03 -0.70048E-02 -0.10091E-03 291 0.714E-02 0.567E-02
DAV: 22 -0.383504022262E+03 -0.37315E-02 -0.24068E-04 309 0.403E-02 0.490E-02
DAV: 23 -0.383505589462E+03 -0.15672E-02 -0.80091E-05 327 0.212E-02 0.365E-02
DAV: 24 -0.383508300107E+03 -0.27106E-02 -0.17062E-04 300 0.270E-02 0.197E-02
DAV: 25 -0.383509650421E+03 -0.13503E-02 -0.56577E-05 291 0.162E-02 0.177E-02
DAV: 26 -0.383510322321E+03 -0.67190E-03 -0.35524E-05 273 0.132E-02 0.781E-03
DAV: 27 -0.383510722739E+03 -0.40042E-03 -0.13458E-05 228 0.807E-03 0.491E-03
DAV: 28 -0.383510908154E+03 -0.18542E-03 -0.56900E-06 219 0.505E-03 0.517E-03
DAV: 29 -0.383511044443E+03 -0.13629E-03 -0.39749E-06 219 0.456E-03 0.252E-03
DAV: 30 -0.383511118965E+03 -0.74522E-04 -0.29213E-06 219 0.325E-03 0.386E-03
DAV: 31 -0.383511159672E+03 -0.40707E-04 -0.15618E-06 201 0.275E-03 0.850E-04
DAV: 32 -0.383511172987E+03 -0.13314E-04 -0.93542E-07 219 0.183E-03 0.142E-03
DAV: 33 -0.383511181784E+03 -0.87970E-05 -0.40836E-07 201 0.122E-03
1 F= -.38351118E+03 E0= -.38352780E+03 d E =0.498418E-01