iterations/neb0_image01_iter70_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 0.144720215291E+04 0.14472E+04 -0.44190E+04 330 0.697E+02
DAV: 2 0.224004764340E+03 -0.12232E+04 -0.11462E+04 435 0.163E+02
DAV: 3 -0.363133878641E+03 -0.58714E+03 -0.58379E+03 345 0.114E+02
DAV: 4 -0.433503013810E+03 -0.70369E+02 -0.70098E+02 318 0.508E+01
DAV: 5 -0.435076680795E+03 -0.15737E+01 -0.15712E+01 318 0.779E+00 0.426E+01
DAV: 6 -0.389097339097E+03 0.45979E+02 -0.14823E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385628981317E+03 0.34684E+01 -0.13453E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384155440099E+03 0.14735E+01 -0.21964E+00 336 0.385E+00 0.433E+00
DAV: 9 -0.383611968001E+03 0.54347E+00 -0.16651E+00 336 0.241E+00 0.131E+00
DAV: 10 -0.383532320676E+03 0.79647E-01 -0.16500E-01 318 0.109E+00 0.930E-01
DAV: 11 -0.383499800134E+03 0.32521E-01 -0.86002E-02 345 0.743E-01 0.724E-01
DAV: 12 -0.383483229065E+03 0.16571E-01 -0.49682E-02 336 0.528E-01 0.670E-01
DAV: 13 -0.383478208182E+03 0.50209E-02 -0.13998E-01 345 0.389E-01 0.878E-01
DAV: 14 -0.383463262869E+03 0.14945E-01 -0.11117E-01 354 0.460E-01 0.555E-01
DAV: 15 -0.383458627390E+03 0.46355E-02 -0.13625E-02 309 0.408E-01 0.203E-01
DAV: 16 -0.383464601879E+03 -0.59745E-02 -0.64679E-03 309 0.237E-01 0.190E-01
DAV: 17 -0.383470930690E+03 -0.63288E-02 -0.24724E-03 336 0.123E-01 0.130E-01
DAV: 18 -0.383482205384E+03 -0.11275E-01 -0.55566E-03 282 0.164E-01 0.136E-01
DAV: 19 -0.383487490570E+03 -0.52852E-02 -0.10294E-03 318 0.820E-02 0.694E-02
DAV: 20 -0.383497550864E+03 -0.10060E-01 -0.89148E-04 300 0.965E-02 0.366E-02
DAV: 21 -0.383503733192E+03 -0.61823E-02 -0.61540E-04 336 0.653E-02 0.405E-02
DAV: 22 -0.383505986785E+03 -0.22536E-02 -0.98908E-05 363 0.277E-02 0.281E-02
DAV: 23 -0.383509508666E+03 -0.35219E-02 -0.17966E-04 291 0.291E-02 0.138E-02
DAV: 24 -0.383511978657E+03 -0.24700E-02 -0.12558E-04 318 0.204E-02 0.194E-02
DAV: 25 -0.383512713164E+03 -0.73451E-03 -0.28978E-05 273 0.158E-02 0.141E-02
DAV: 26 -0.383513404303E+03 -0.69114E-03 -0.38269E-05 282 0.123E-02 0.583E-03
DAV: 27 -0.383513637568E+03 -0.23327E-03 -0.50080E-06 237 0.629E-03 0.331E-03
DAV: 28 -0.383513869116E+03 -0.23155E-03 -0.96274E-06 201 0.697E-03 0.495E-03
DAV: 29 -0.383513932970E+03 -0.63855E-04 -0.24300E-06 228 0.341E-03 0.209E-03
DAV: 30 -0.383513997330E+03 -0.64360E-04 -0.23792E-06 192 0.357E-03 0.113E-03
DAV: 31 -0.383514018088E+03 -0.20758E-04 -0.10292E-06 228 0.197E-03 0.110E-03
DAV: 32 -0.383514028574E+03 -0.10486E-04 -0.49486E-07 201 0.184E-03 0.676E-04
DAV: 33 -0.383514041515E+03 -0.12941E-04 -0.44308E-07 210 0.138E-03 0.687E-04
DAV: 34 -0.383514047331E+03 -0.58167E-05 -0.20560E-07 210 0.918E-04
1 F= -.38351405E+03 E0= -.38353060E+03 d E =0.496495E-01