iterations/neb0_image05_iter56_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 0.144861303917E+04 0.14486E+04 -0.44229E+04 330 0.697E+02
DAV: 2 0.231328727627E+03 -0.12173E+04 -0.11404E+04 417 0.163E+02
DAV: 3 -0.364074314189E+03 -0.59540E+03 -0.59221E+03 354 0.114E+02
DAV: 4 -0.433219636142E+03 -0.69145E+02 -0.68887E+02 309 0.497E+01
DAV: 5 -0.434783763873E+03 -0.15641E+01 -0.15613E+01 327 0.772E+00 0.427E+01
DAV: 6 -0.388707739461E+03 0.46076E+02 -0.14975E+02 309 0.287E+01 0.209E+01
DAV: 7 -0.385222618394E+03 0.34851E+01 -0.13166E+01 345 0.778E+00 0.104E+01
DAV: 8 -0.383774536836E+03 0.14481E+01 -0.25310E+00 327 0.384E+00 0.434E+00
DAV: 9 -0.383190166258E+03 0.58437E+00 -0.82281E-01 336 0.214E+00 0.125E+00
DAV: 10 -0.383142057695E+03 0.48109E-01 -0.53432E-01 354 0.112E+00 0.106E+00
DAV: 11 -0.383116595091E+03 0.25463E-01 -0.28487E-01 345 0.625E-01 0.107E+00
DAV: 12 -0.383098686608E+03 0.17908E-01 -0.16779E-01 363 0.530E-01 0.854E-01
DAV: 13 -0.383083992703E+03 0.14694E-01 -0.25444E-01 336 0.722E-01 0.908E-01
DAV: 14 -0.383061687204E+03 0.22305E-01 -0.38492E-02 327 0.490E-01 0.543E-01
DAV: 15 -0.383059223449E+03 0.24638E-02 -0.18424E-02 318 0.334E-01 0.229E-01
DAV: 16 -0.383062597262E+03 -0.33738E-02 -0.56064E-03 300 0.240E-01 0.199E-01
DAV: 17 -0.383070107149E+03 -0.75099E-02 -0.42798E-03 300 0.190E-01 0.194E-01
DAV: 18 -0.383082352440E+03 -0.12245E-01 -0.40910E-03 300 0.213E-01 0.335E-01
DAV: 19 -0.383085442491E+03 -0.30901E-02 -0.37604E-03 318 0.118E-01 0.123E-01
DAV: 20 -0.383092417646E+03 -0.69752E-02 -0.72005E-04 291 0.725E-02 0.624E-02
DAV: 21 -0.383099616677E+03 -0.71990E-02 -0.44034E-04 336 0.572E-02 0.864E-02
DAV: 22 -0.383107035577E+03 -0.74189E-02 -0.58241E-04 309 0.573E-02 0.401E-02
DAV: 23 -0.383109244942E+03 -0.22094E-02 -0.20318E-04 336 0.325E-02 0.470E-02
DAV: 24 -0.383110881828E+03 -0.16369E-02 -0.66801E-05 291 0.190E-02 0.234E-02
DAV: 25 -0.383112287832E+03 -0.14060E-02 -0.72931E-05 309 0.173E-02 0.101E-02
DAV: 26 -0.383112844353E+03 -0.55652E-03 -0.17782E-05 246 0.886E-03 0.617E-03
DAV: 27 -0.383113174333E+03 -0.32998E-03 -0.10246E-05 210 0.607E-03 0.319E-03
DAV: 28 -0.383113377307E+03 -0.20297E-03 -0.72991E-06 219 0.489E-03 0.192E-03
DAV: 29 -0.383113462941E+03 -0.85634E-04 -0.27033E-06 228 0.334E-03 0.206E-03
DAV: 30 -0.383113524628E+03 -0.61687E-04 -0.26754E-06 210 0.290E-03 0.149E-03
DAV: 31 -0.383113539197E+03 -0.14570E-04 -0.95786E-07 228 0.188E-03 0.897E-04
DAV: 32 -0.383113552220E+03 -0.13023E-04 -0.65118E-07 192 0.147E-03 0.467E-04
DAV: 33 -0.383113556139E+03 -0.39186E-05 -0.25070E-07 228 0.895E-04
1 F= -.38311356E+03 E0= -.38313012E+03 d E =0.496851E-01