iterations/neb0_image02_iter42_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 0.145000686673E+04 0.14500E+04 -0.44203E+04 330 0.697E+02
DAV: 2 0.224899231209E+03 -0.12251E+04 -0.11471E+04 435 0.163E+02
DAV: 3 -0.363442922291E+03 -0.58834E+03 -0.58519E+03 354 0.114E+02
DAV: 4 -0.433493587289E+03 -0.70051E+02 -0.69832E+02 309 0.504E+01
DAV: 5 -0.435050682397E+03 -0.15571E+01 -0.15544E+01 318 0.768E+00 0.428E+01
DAV: 6 -0.388754553430E+03 0.46296E+02 -0.14989E+02 318 0.286E+01 0.209E+01
DAV: 7 -0.385260871504E+03 0.34937E+01 -0.13192E+01 336 0.775E+00 0.104E+01
DAV: 8 -0.383805081756E+03 0.14558E+01 -0.23383E+00 345 0.389E+00 0.442E+00
DAV: 9 -0.383238628698E+03 0.56645E+00 -0.10079E+00 336 0.206E+00 0.123E+00
DAV: 10 -0.383170594767E+03 0.68034E-01 -0.39153E-01 363 0.110E+00 0.110E+00
DAV: 11 -0.383152163171E+03 0.18432E-01 -0.32526E-01 336 0.651E-01 0.995E-01
DAV: 12 -0.383134244308E+03 0.17919E-01 -0.24756E-01 327 0.500E-01 0.702E-01
DAV: 13 -0.383104174578E+03 0.30070E-01 -0.26363E-02 318 0.465E-01 0.318E-01
DAV: 14 -0.383098876388E+03 0.52982E-02 -0.20860E-02 318 0.384E-01 0.323E-01
DAV: 15 -0.383105065636E+03 -0.61892E-02 -0.22307E-02 318 0.358E-01 0.418E-01
DAV: 16 -0.383113301209E+03 -0.82356E-02 -0.56143E-03 354 0.258E-01 0.286E-01
DAV: 17 -0.383118542903E+03 -0.52417E-02 -0.18739E-02 345 0.189E-01 0.335E-01
DAV: 18 -0.383125644165E+03 -0.71013E-02 -0.12708E-02 291 0.147E-01 0.159E-01
DAV: 19 -0.383133906121E+03 -0.82620E-02 -0.13602E-03 336 0.114E-01 0.407E-02
DAV: 20 -0.383142135018E+03 -0.82289E-02 -0.77142E-04 309 0.728E-02 0.116E-01
DAV: 21 -0.383146426037E+03 -0.42910E-02 -0.27252E-04 318 0.405E-02 0.366E-02
DAV: 22 -0.383151910970E+03 -0.54849E-02 -0.40873E-04 291 0.382E-02 0.206E-02
DAV: 23 -0.383153200918E+03 -0.12899E-02 -0.56263E-05 327 0.143E-02 0.175E-02
DAV: 24 -0.383154348898E+03 -0.11480E-02 -0.39807E-05 273 0.127E-02 0.876E-03
DAV: 25 -0.383155184585E+03 -0.83569E-03 -0.40596E-05 273 0.109E-02 0.763E-03
DAV: 26 -0.383155368646E+03 -0.18406E-03 -0.50929E-06 237 0.702E-03 0.360E-03
DAV: 27 -0.383155494073E+03 -0.12543E-03 -0.46932E-06 201 0.518E-03 0.427E-03
DAV: 28 -0.383155539707E+03 -0.45633E-04 -0.13112E-06 228 0.293E-03 0.331E-03
DAV: 29 -0.383155603790E+03 -0.64084E-04 -0.30150E-06 201 0.457E-03 0.204E-03
DAV: 30 -0.383155621642E+03 -0.17852E-04 -0.10107E-06 219 0.279E-03 0.180E-03
DAV: 31 -0.383155628183E+03 -0.65404E-05 -0.76100E-07 228 0.229E-03
1 F= -.38315563E+03 E0= -.38316806E+03 d E =0.372805E-01