iterations/neb0_image07_iter4_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 0.145163304701E+04 0.14516E+04 -0.44237E+04 330 0.697E+02
DAV: 2 0.229514223334E+03 -0.12221E+04 -0.11468E+04 426 0.163E+02
DAV: 3 -0.360551132104E+03 -0.59007E+03 -0.58671E+03 345 0.114E+02
DAV: 4 -0.432596695882E+03 -0.72046E+02 -0.71762E+02 318 0.512E+01
DAV: 5 -0.434225174937E+03 -0.16285E+01 -0.16257E+01 318 0.794E+00 0.426E+01
DAV: 6 -0.388526701195E+03 0.45698E+02 -0.14668E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385070135983E+03 0.34566E+01 -0.13306E+01 345 0.785E+00 0.104E+01
DAV: 8 -0.383634766072E+03 0.14354E+01 -0.22224E+00 336 0.391E+00 0.433E+00
DAV: 9 -0.383079535634E+03 0.55523E+00 -0.88980E-01 336 0.232E+00 0.126E+00
DAV: 10 -0.383026923585E+03 0.52612E-01 -0.47225E-01 336 0.121E+00 0.795E-01
DAV: 11 -0.382996332432E+03 0.30591E-01 -0.44733E-02 327 0.505E-01 0.673E-01
DAV: 12 -0.382981684020E+03 0.14648E-01 -0.89798E-02 363 0.550E-01 0.638E-01
DAV: 13 -0.382959073911E+03 0.22610E-01 -0.34098E-02 318 0.513E-01 0.725E-01
DAV: 14 -0.382955857567E+03 0.32163E-02 -0.14028E-01 399 0.513E-01 0.456E-01
DAV: 15 -0.382953762347E+03 0.20952E-02 -0.12043E-02 300 0.310E-01 0.402E-01
DAV: 16 -0.382955978583E+03 -0.22162E-02 -0.10251E-02 363 0.240E-01 0.301E-01
DAV: 17 -0.382960376971E+03 -0.43984E-02 -0.11199E-02 291 0.235E-01 0.158E-01
DAV: 18 -0.382969705450E+03 -0.93285E-02 -0.70226E-03 336 0.184E-01 0.268E-01
DAV: 19 -0.382978715346E+03 -0.90099E-02 -0.76772E-03 300 0.172E-01 0.878E-02
DAV: 20 -0.382984662942E+03 -0.59476E-02 -0.14062E-03 318 0.105E-01 0.998E-02
DAV: 21 -0.382990713895E+03 -0.60510E-02 -0.50648E-04 318 0.622E-02 0.597E-02
DAV: 22 -0.382994741964E+03 -0.40281E-02 -0.22179E-04 336 0.369E-02 0.287E-02
DAV: 23 -0.382999166065E+03 -0.44241E-02 -0.29601E-04 327 0.335E-02 0.368E-02
DAV: 24 -0.383001789817E+03 -0.26238E-02 -0.14373E-04 309 0.234E-02 0.137E-02
DAV: 25 -0.383003026578E+03 -0.12368E-02 -0.59724E-05 300 0.151E-02 0.126E-02
DAV: 26 -0.383003601708E+03 -0.57513E-03 -0.22288E-05 255 0.958E-03 0.491E-03
DAV: 27 -0.383003929687E+03 -0.32798E-03 -0.11143E-05 228 0.620E-03 0.502E-03
DAV: 28 -0.383004147424E+03 -0.21774E-03 -0.91758E-06 210 0.553E-03 0.467E-03
DAV: 29 -0.383004208996E+03 -0.61573E-04 -0.26657E-06 237 0.354E-03 0.268E-03
DAV: 30 -0.383004256989E+03 -0.47993E-04 -0.16811E-06 192 0.264E-03 0.152E-03
DAV: 31 -0.383004287973E+03 -0.30983E-04 -0.13064E-06 219 0.217E-03 0.132E-03
DAV: 32 -0.383004305055E+03 -0.17082E-04 -0.71253E-07 210 0.161E-03 0.998E-04
DAV: 33 -0.383004313432E+03 -0.83773E-05 -0.40935E-07 219 0.129E-03
1 F= -.38300431E+03 E0= -.38302124E+03 d E =0.507864E-01