iterations/neb0_image08_iter31_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 0.144917093718E+04 0.14492E+04 -0.44237E+04 330 0.697E+02
DAV: 2 0.232723560532E+03 -0.12164E+04 -0.11409E+04 417 0.163E+02
DAV: 3 -0.362798282747E+03 -0.59552E+03 -0.59195E+03 354 0.115E+02
DAV: 4 -0.432689198097E+03 -0.69891E+02 -0.69631E+02 300 0.498E+01
DAV: 5 -0.434275881275E+03 -0.15867E+01 -0.15834E+01 327 0.775E+00 0.426E+01
DAV: 6 -0.388641194128E+03 0.45635E+02 -0.14832E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385234048588E+03 0.34071E+01 -0.12969E+01 345 0.775E+00 0.104E+01
DAV: 8 -0.383764852187E+03 0.14692E+01 -0.19132E+00 336 0.381E+00 0.434E+00
DAV: 9 -0.383240123477E+03 0.52473E+00 -0.14145E+00 336 0.229E+00 0.113E+00
DAV: 10 -0.383164138241E+03 0.75985E-01 -0.14715E-01 336 0.989E-01 0.908E-01
DAV: 11 -0.383125669785E+03 0.38468E-01 -0.92749E-02 345 0.683E-01 0.715E-01
DAV: 12 -0.383115856762E+03 0.98130E-02 -0.22267E-01 363 0.575E-01 0.982E-01
DAV: 13 -0.383094679875E+03 0.21177E-01 -0.15116E-01 381 0.560E-01 0.449E-01
DAV: 14 -0.383086330695E+03 0.83492E-02 -0.16542E-02 309 0.426E-01 0.466E-01
DAV: 15 -0.383086697100E+03 -0.36641E-03 -0.12172E-02 327 0.303E-01 0.621E-01
DAV: 16 -0.383085411517E+03 0.12856E-02 -0.47305E-02 327 0.290E-01 0.212E-01
DAV: 17 -0.383094040883E+03 -0.86294E-02 -0.60065E-03 318 0.222E-01 0.122E-01
DAV: 18 -0.383105963142E+03 -0.11922E-01 -0.39591E-03 282 0.205E-01 0.149E-01
DAV: 19 -0.383113167386E+03 -0.72042E-02 -0.25291E-03 327 0.133E-01 0.906E-02
DAV: 20 -0.383118911512E+03 -0.57441E-02 -0.58669E-04 318 0.673E-02 0.800E-02
DAV: 21 -0.383126524571E+03 -0.76131E-02 -0.52106E-04 309 0.517E-02 0.305E-02
DAV: 22 -0.383130485224E+03 -0.39607E-02 -0.27099E-04 345 0.355E-02 0.296E-02
DAV: 23 -0.383132172177E+03 -0.16870E-02 -0.11582E-04 300 0.206E-02 0.278E-02
DAV: 24 -0.383134677239E+03 -0.25051E-02 -0.15208E-04 282 0.215E-02 0.126E-02
DAV: 25 -0.383135843657E+03 -0.11664E-02 -0.62418E-05 291 0.140E-02 0.111E-02
DAV: 26 -0.383136123491E+03 -0.27983E-03 -0.10129E-05 237 0.690E-03 0.681E-03
DAV: 27 -0.383136517973E+03 -0.39448E-03 -0.15088E-05 228 0.731E-03 0.584E-03
DAV: 28 -0.383136695920E+03 -0.17795E-03 -0.60533E-06 219 0.571E-03 0.465E-03
DAV: 29 -0.383136757892E+03 -0.61972E-04 -0.30668E-06 237 0.437E-03 0.367E-03
DAV: 30 -0.383136787704E+03 -0.29812E-04 -0.15220E-06 192 0.292E-03 0.295E-03
DAV: 31 -0.383136827974E+03 -0.40270E-04 -0.15206E-06 201 0.282E-03 0.155E-03
DAV: 32 -0.383136843221E+03 -0.15246E-04 -0.79346E-07 228 0.176E-03 0.916E-04
DAV: 33 -0.383136849856E+03 -0.66352E-05 -0.28109E-07 201 0.110E-03
1 F= -.38313685E+03 E0= -.38315408E+03 d E =0.516875E-01