iterations/neb0_image02_iter28_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 0.144798500520E+04 0.14480E+04 -0.44193E+04 330 0.697E+02
DAV: 2 0.224417375891E+03 -0.12236E+04 -0.11469E+04 435 0.163E+02
DAV: 3 -0.362867414918E+03 -0.58728E+03 -0.58415E+03 345 0.114E+02
DAV: 4 -0.433461877553E+03 -0.70594E+02 -0.70357E+02 309 0.508E+01
DAV: 5 -0.435045759928E+03 -0.15839E+01 -0.15813E+01 318 0.781E+00 0.426E+01
DAV: 6 -0.389087013930E+03 0.45959E+02 -0.14802E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385623256922E+03 0.34638E+01 -0.13535E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.384144117982E+03 0.14791E+01 -0.20793E+00 327 0.384E+00 0.433E+00
DAV: 9 -0.383598398583E+03 0.54572E+00 -0.13597E+00 336 0.235E+00 0.131E+00
DAV: 10 -0.383540120992E+03 0.58278E-01 -0.36366E-01 336 0.115E+00 0.123E+00
DAV: 11 -0.383513141616E+03 0.26979E-01 -0.27309E-01 354 0.693E-01 0.105E+00
DAV: 12 -0.383498002293E+03 0.15139E-01 -0.49625E-02 354 0.746E-01 0.122E+00
DAV: 13 -0.383470043524E+03 0.27959E-01 -0.47929E-02 372 0.576E-01 0.590E-01
DAV: 14 -0.383461516392E+03 0.85271E-02 -0.15425E-02 318 0.367E-01 0.335E-01
DAV: 15 -0.383457229921E+03 0.42865E-02 -0.14525E-02 327 0.398E-01 0.381E-01
DAV: 16 -0.383458456798E+03 -0.12269E-02 -0.76933E-03 318 0.256E-01 0.275E-01
DAV: 17 -0.383466460229E+03 -0.80034E-02 -0.46541E-03 309 0.210E-01 0.198E-01
DAV: 18 -0.383475243463E+03 -0.87832E-02 -0.25945E-03 345 0.179E-01 0.103E-01
DAV: 19 -0.383484191390E+03 -0.89479E-02 -0.16054E-03 300 0.120E-01 0.134E-01
DAV: 20 -0.383493550818E+03 -0.93594E-02 -0.74796E-04 336 0.859E-02 0.503E-02
DAV: 21 -0.383499767779E+03 -0.62170E-02 -0.63482E-04 309 0.675E-02 0.536E-02
DAV: 22 -0.383503572897E+03 -0.38051E-02 -0.25544E-04 363 0.483E-02 0.487E-02
DAV: 23 -0.383506257411E+03 -0.26845E-02 -0.12903E-04 309 0.325E-02 0.180E-02
DAV: 24 -0.383508368281E+03 -0.21109E-02 -0.12838E-04 300 0.217E-02 0.310E-02
DAV: 25 -0.383509620482E+03 -0.12522E-02 -0.86790E-05 318 0.243E-02 0.130E-02
DAV: 26 -0.383509873731E+03 -0.25325E-03 -0.14803E-05 264 0.959E-03 0.973E-03
DAV: 27 -0.383510044137E+03 -0.17041E-03 -0.40080E-06 219 0.445E-03 0.733E-03
DAV: 28 -0.383510326906E+03 -0.28277E-03 -0.13434E-05 219 0.802E-03 0.285E-03
DAV: 29 -0.383510374533E+03 -0.47627E-04 -0.28342E-06 237 0.405E-03 0.297E-03
DAV: 30 -0.383510427235E+03 -0.52702E-04 -0.17173E-06 192 0.290E-03 0.162E-03
DAV: 31 -0.383510463112E+03 -0.35877E-04 -0.18097E-06 219 0.302E-03 0.176E-03
DAV: 32 -0.383510483198E+03 -0.20085E-04 -0.72452E-07 201 0.209E-03 0.164E-03
DAV: 33 -0.383510487024E+03 -0.38266E-05 -0.32708E-07 228 0.132E-03
1 F= -.38351049E+03 E0= -.38352705E+03 d E =0.496861E-01