iterations/neb0_image07_iter17_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 0.145223538887E+04 0.14522E+04 -0.44245E+04 330 0.697E+02
DAV: 2 0.228657752183E+03 -0.12236E+04 -0.11475E+04 426 0.163E+02
DAV: 3 -0.361374179859E+03 -0.59003E+03 -0.58659E+03 345 0.114E+02
DAV: 4 -0.433004538420E+03 -0.71630E+02 -0.71365E+02 318 0.511E+01
DAV: 5 -0.434624366539E+03 -0.16198E+01 -0.16172E+01 318 0.792E+00 0.427E+01
DAV: 6 -0.388764836802E+03 0.45860E+02 -0.14755E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385295802624E+03 0.34690E+01 -0.13110E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.383830216886E+03 0.14656E+01 -0.18231E+00 345 0.381E+00 0.430E+00
DAV: 9 -0.383314214596E+03 0.51600E+00 -0.15463E+00 336 0.224E+00 0.117E+00
DAV: 10 -0.383243071259E+03 0.71143E-01 -0.22000E-01 327 0.102E+00 0.970E-01
DAV: 11 -0.383220659579E+03 0.22412E-01 -0.13719E-01 318 0.581E-01 0.783E-01
DAV: 12 -0.383183550084E+03 0.37109E-01 -0.76733E-02 372 0.611E-01 0.470E-01
DAV: 13 -0.383166575532E+03 0.16975E-01 -0.18436E-02 309 0.447E-01 0.306E-01
DAV: 14 -0.383162731943E+03 0.38436E-02 -0.16787E-02 318 0.408E-01 0.234E-01
DAV: 15 -0.383172850454E+03 -0.10119E-01 -0.20532E-02 345 0.343E-01 0.404E-01
DAV: 16 -0.383171976893E+03 0.87356E-03 -0.45224E-03 300 0.209E-01 0.169E-01
DAV: 17 -0.383178114870E+03 -0.61380E-02 -0.67484E-03 327 0.159E-01 0.192E-01
DAV: 18 -0.383182376457E+03 -0.42616E-02 -0.14296E-03 291 0.916E-02 0.219E-01
DAV: 19 -0.383192408624E+03 -0.10032E-01 -0.92727E-03 318 0.179E-01 0.140E-01
DAV: 20 -0.383195783951E+03 -0.33753E-02 -0.13405E-03 318 0.923E-02 0.808E-02
DAV: 21 -0.383198301985E+03 -0.25180E-02 -0.27631E-04 318 0.385E-02 0.552E-02
DAV: 22 -0.383204518040E+03 -0.62161E-02 -0.73737E-04 300 0.507E-02 0.540E-02
DAV: 23 -0.383208987288E+03 -0.44692E-02 -0.58591E-04 309 0.476E-02 0.709E-02
DAV: 24 -0.383209723367E+03 -0.73608E-03 -0.38943E-04 327 0.346E-02 0.217E-02
DAV: 25 -0.383210983524E+03 -0.12602E-02 -0.79615E-05 282 0.199E-02 0.196E-02
DAV: 26 -0.383212602085E+03 -0.16186E-02 -0.93886E-05 282 0.158E-02 0.857E-03
DAV: 27 -0.383213005363E+03 -0.40328E-03 -0.21700E-05 237 0.953E-03 0.961E-03
DAV: 28 -0.383213223663E+03 -0.21830E-03 -0.12656E-05 228 0.690E-03 0.411E-03
DAV: 29 -0.383213464350E+03 -0.24069E-03 -0.12043E-05 219 0.633E-03 0.353E-03
DAV: 30 -0.383213505671E+03 -0.41322E-04 -0.25191E-06 237 0.324E-03 0.465E-03
DAV: 31 -0.383213556165E+03 -0.50493E-04 -0.22805E-06 201 0.321E-03 0.169E-03
DAV: 32 -0.383213589242E+03 -0.33077E-04 -0.15301E-06 210 0.248E-03 0.992E-04
DAV: 33 -0.383213596072E+03 -0.68307E-05 -0.50812E-07 237 0.147E-03
1 F= -.38321360E+03 E0= -.38323044E+03 d E =0.505242E-01