iterations/neb0_image01_iter63_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 0.144721318274E+04 0.14472E+04 -0.44190E+04 330 0.697E+02
DAV: 2 0.223985663372E+03 -0.12232E+04 -0.11462E+04 435 0.163E+02
DAV: 3 -0.363139350094E+03 -0.58713E+03 -0.58375E+03 345 0.114E+02
DAV: 4 -0.433508581318E+03 -0.70369E+02 -0.70097E+02 318 0.508E+01
DAV: 5 -0.435082204716E+03 -0.15736E+01 -0.15711E+01 318 0.779E+00 0.426E+01
DAV: 6 -0.389097817001E+03 0.45984E+02 -0.14823E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385622774399E+03 0.34750E+01 -0.13290E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384151787401E+03 0.14710E+01 -0.22276E+00 336 0.385E+00 0.432E+00
DAV: 9 -0.383604429589E+03 0.54736E+00 -0.15594E+00 345 0.238E+00 0.126E+00
DAV: 10 -0.383526513977E+03 0.77916E-01 -0.15017E-01 318 0.107E+00 0.945E-01
DAV: 11 -0.383502466920E+03 0.24047E-01 -0.16661E-01 336 0.859E-01 0.853E-01
DAV: 12 -0.383481435454E+03 0.21031E-01 -0.17255E-01 336 0.606E-01 0.672E-01
DAV: 13 -0.383477302261E+03 0.41332E-02 -0.95620E-02 345 0.346E-01 0.709E-01
DAV: 14 -0.383461850091E+03 0.15452E-01 -0.11323E-01 327 0.448E-01 0.437E-01
DAV: 15 -0.383457718900E+03 0.41312E-02 -0.12790E-02 318 0.354E-01 0.299E-01
DAV: 16 -0.383466853130E+03 -0.91342E-02 -0.79585E-03 291 0.291E-01 0.148E-01
DAV: 17 -0.383479562176E+03 -0.12709E-01 -0.44792E-03 309 0.208E-01 0.231E-01
DAV: 18 -0.383488306946E+03 -0.87448E-02 -0.20955E-03 336 0.124E-01 0.942E-02
DAV: 19 -0.383493588994E+03 -0.52820E-02 -0.56370E-04 327 0.681E-02 0.783E-02
DAV: 20 -0.383500440678E+03 -0.68517E-02 -0.55103E-04 345 0.636E-02 0.503E-02
DAV: 21 -0.383503078739E+03 -0.26381E-02 -0.30862E-04 372 0.451E-02 0.402E-02
DAV: 22 -0.383502871317E+03 0.20742E-03 -0.54205E-05 309 0.161E-02 0.405E-02
DAV: 23 -0.383502781727E+03 0.89590E-04 -0.42910E-06 255 0.532E-03 0.406E-02
DAV: 24 -0.383503247705E+03 -0.46598E-03 -0.15864E-04 363 0.379E-02 0.435E-02
DAV: 25 -0.383506694467E+03 -0.34468E-02 -0.58193E-04 345 0.602E-02 0.678E-02
DAV: 26 -0.383507888428E+03 -0.11940E-02 -0.24709E-04 336 0.336E-02 0.877E-02
DAV: 27 -0.383508533017E+03 -0.64459E-03 -0.41944E-05 336 0.262E-02 0.817E-02
DAV: 28 -0.383509356292E+03 -0.82328E-03 -0.12939E-04 345 0.449E-02 0.600E-02
DAV: 29 -0.383510063085E+03 -0.70679E-03 -0.28199E-04 372 0.479E-02 0.566E-02
DAV: 30 -0.383510317039E+03 -0.25395E-03 -0.14236E-04 363 0.306E-02 0.639E-02
DAV: 31 -0.383510413903E+03 -0.96864E-04 -0.37666E-05 291 0.120E-02 0.817E-02
DAV: 32 -0.383510931528E+03 -0.51763E-03 -0.40484E-05 273 0.216E-02 0.662E-02
DAV: 33 -0.383511996923E+03 -0.10654E-02 -0.12119E-03 408 0.112E-01 0.503E-02
DAV: 34 -0.383512084997E+03 -0.88074E-04 -0.56661E-04 327 0.438E-02 0.416E-02
DAV: 35 -0.383512060818E+03 0.24179E-04 -0.32075E-05 318 0.137E-02 0.422E-02
DAV: 36 -0.383512213571E+03 -0.15275E-03 -0.90794E-06 237 0.121E-02 0.443E-02
DAV: 37 -0.383511943770E+03 0.26980E-03 -0.39251E-04 408 0.943E-02 0.952E-02
DAV: 38 -0.383511964033E+03 -0.20263E-04 -0.28183E-04 327 0.255E-02 0.823E-02
DAV: 39 -0.383512006925E+03 -0.42891E-04 -0.46879E-06 246 0.675E-03 0.789E-02
DAV: 40 -0.383511990086E+03 0.16839E-04 -0.20194E-06 237 0.531E-03 0.840E-02
DAV: 41 -0.383512307098E+03 -0.31701E-03 -0.44666E-05 318 0.431E-02 0.531E-02
DAV: 42 -0.383512708438E+03 -0.40134E-03 -0.29905E-04 390 0.738E-02 0.303E-02
DAV: 43 -0.383512848016E+03 -0.13958E-03 -0.25195E-04 336 0.353E-02 0.214E-02
DAV: 44 -0.383512889866E+03 -0.41850E-04 -0.43446E-05 345 0.187E-02 0.188E-02
DAV: 45 -0.383512934580E+03 -0.44714E-04 -0.12896E-05 264 0.145E-02 0.211E-02
DAV: 46 -0.383512969785E+03 -0.35204E-04 -0.14407E-05 309 0.857E-03 0.187E-02
DAV: 47 -0.383513169840E+03 -0.20006E-03 -0.91415E-05 327 0.443E-02 0.313E-02
DAV: 48 -0.383513347933E+03 -0.17809E-03 -0.26754E-04 372 0.507E-02 0.434E-02
DAV: 49 -0.383513358202E+03 -0.10270E-04 -0.93517E-05 309 0.182E-02 0.364E-02
DAV: 50 -0.383513366146E+03 -0.79440E-05 -0.22984E-06 237 0.335E-03
1 F= -.38351337E+03 E0= -.38352652E+03 d E =0.394563E-01