iterations/neb0_image08_iter39_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 0.130972048212E+04 0.13097E+04 -0.43148E+04 330 0.696E+02
DAV: 2 0.213380638506E+03 -0.10963E+04 -0.10385E+04 417 0.158E+02
DAV: 3 -0.283893727593E+03 -0.49727E+03 -0.48312E+03 363 0.106E+02
DAV: 4 -0.358288111826E+03 -0.74394E+02 -0.71346E+02 300 0.463E+01
DAV: 5 -0.360501028437E+03 -0.22129E+01 -0.22025E+01 327 0.835E+00 0.441E+01
DAV: 6 -0.370476723849E+03 -0.99757E+01 -0.35524E+02 318 0.333E+01 0.492E+01
DAV: 7 -0.334695139885E+03 0.35782E+02 -0.16747E+02 312 0.146E+01 0.317E+01
DAV: 8 -0.316593721387E+03 0.18101E+02 -0.64542E+01 309 0.974E+00 0.236E+01
DAV: 9 -0.322927041935E+03 -0.63333E+01 -0.74143E+01 363 0.718E+00 0.262E+01
DAV: 10 -0.315056849679E+03 0.78702E+01 -0.33094E+01 345 0.508E+00 0.286E+01
DAV: 11 -0.310340584963E+03 0.47163E+01 -0.50696E+01 363 0.462E+00 0.169E+01
DAV: 12 -0.312723535971E+03 -0.23830E+01 -0.32480E+01 309 0.294E+00 0.235E+01
DAV: 13 -0.311268914133E+03 0.14546E+01 -0.99026E+00 318 0.223E+00 0.148E+01
DAV: 14 -0.309541449349E+03 0.17275E+01 -0.13313E+01 309 0.160E+00 0.175E+01
DAV: 15 -0.308989736191E+03 0.55171E+00 -0.80432E+00 363 0.172E+00 0.144E+01
DAV: 16 -0.308739958024E+03 0.24978E+00 -0.74274E+00 300 0.809E-01 0.130E+01
DAV: 17 -0.308418216618E+03 0.32174E+00 -0.26500E-01 336 0.727E-01 0.875E+00
DAV: 18 -0.308208877409E+03 0.20934E+00 -0.21696E-01 291 0.359E-01 0.726E+00
DAV: 19 -0.308174656064E+03 0.34221E-01 -0.85423E-02 318 0.237E-01 0.697E+00
DAV: 20 -0.308481538723E+03 -0.30688E+00 -0.53933E+00 300 0.408E-01 0.164E+01
DAV: 21 -0.309114784337E+03 -0.63325E+00 -0.11873E+01 300 0.614E-01 0.160E+01
DAV: 22 -0.308241583205E+03 0.87320E+00 -0.16117E+00 300 0.569E-01 0.789E+00
DAV: 23 -0.308116697136E+03 0.12489E+00 -0.17381E+00 318 0.442E-01 0.606E+00
DAV: 24 -0.308111642580E+03 0.50546E-02 -0.20038E-01 318 0.351E-01 0.416E+00
DAV: 25 -0.308119449691E+03 -0.78071E-02 -0.39744E-01 291 0.269E-01 0.607E+00
DAV: 26 -0.308097966556E+03 0.21483E-01 -0.19769E-01 291 0.241E-01 0.171E+00
DAV: 27 -0.308132688628E+03 -0.34722E-01 -0.91584E-02 291 0.160E-01 0.467E+00
DAV: 28 -0.308136363576E+03 -0.36749E-02 -0.32356E-01 300 0.156E-01 0.457E+00
DAV: 29 -0.308124131785E+03 0.12232E-01 -0.13051E-01 300 0.128E-01 0.187E+00
DAV: 30 -0.308136903172E+03 -0.12771E-01 -0.11130E-02 318 0.118E-01 0.237E+00
DAV: 31 -0.308140577470E+03 -0.36743E-02 -0.82161E-03 300 0.799E-02 0.265E+00
DAV: 32 -0.308139710458E+03 0.86701E-03 -0.11040E-02 300 0.659E-02 0.125E+00
DAV: 33 -0.308149153210E+03 -0.94428E-02 -0.97392E-04 300 0.630E-02 0.111E+00
DAV: 34 -0.308154100240E+03 -0.49470E-02 -0.33096E-03 309 0.451E-02 0.640E-01
DAV: 35 -0.308157791327E+03 -0.36911E-02 -0.31468E-03 318 0.375E-02 0.207E-01
DAV: 36 -0.308160439120E+03 -0.26478E-02 -0.25563E-04 309 0.215E-02 0.237E-01
DAV: 37 -0.308162451359E+03 -0.20122E-02 -0.46698E-04 282 0.158E-02 0.256E-01
DAV: 38 -0.308163703248E+03 -0.12519E-02 -0.12334E-04 273 0.149E-02 0.132E-01
DAV: 39 -0.308164533249E+03 -0.83000E-03 -0.10113E-04 264 0.114E-02 0.247E-01
DAV: 40 -0.308164949069E+03 -0.41582E-03 -0.70125E-05 264 0.849E-03 0.693E-02
DAV: 41 -0.308165291235E+03 -0.34217E-03 -0.13471E-05 237 0.629E-03 0.634E-02
DAV: 42 -0.308165469163E+03 -0.17793E-03 -0.12764E-05 228 0.407E-03 0.364E-02
DAV: 43 -0.308165584976E+03 -0.11581E-03 -0.49014E-06 219 0.296E-03 0.462E-02
DAV: 44 -0.308165668035E+03 -0.83059E-04 -0.39458E-06 228 0.271E-03 0.225E-02
DAV: 45 -0.308165704992E+03 -0.36957E-04 -0.11612E-06 201 0.156E-03 0.363E-03
DAV: 46 -0.308165729717E+03 -0.24726E-04 -0.12195E-06 201 0.136E-03 0.110E-02
DAV: 47 -0.308165740471E+03 -0.10753E-04 -0.61169E-07 201 0.996E-04 0.352E-03
DAV: 48 -0.308165745060E+03 -0.45892E-05 -0.33599E-07 201 0.777E-04
1 F= -.30816575E+03 E0= -.30800939E+03 d E =-.469076E+00