iterations/neb0_image04_iter50_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 0.144885277032E+04 0.14489E+04 -0.44206E+04 330 0.697E+02
DAV: 2 0.224009665054E+03 -0.12248E+04 -0.11488E+04 435 0.163E+02
DAV: 3 -0.362935765256E+03 -0.58695E+03 -0.58387E+03 345 0.114E+02
DAV: 4 -0.433347032603E+03 -0.70411E+02 -0.70171E+02 309 0.508E+01
DAV: 5 -0.434940699273E+03 -0.15937E+01 -0.15910E+01 327 0.783E+00 0.426E+01
DAV: 6 -0.389028564150E+03 0.45912E+02 -0.14789E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385566770478E+03 0.34618E+01 -0.13316E+01 345 0.777E+00 0.104E+01
DAV: 8 -0.384084898582E+03 0.14819E+01 -0.18439E+00 327 0.379E+00 0.432E+00
DAV: 9 -0.383566358282E+03 0.51854E+00 -0.14310E+00 336 0.222E+00 0.116E+00
DAV: 10 -0.383491624077E+03 0.74734E-01 -0.18269E-01 327 0.985E-01 0.924E-01
DAV: 11 -0.383466941153E+03 0.24683E-01 -0.11472E-01 336 0.569E-01 0.879E-01
DAV: 12 -0.383449151507E+03 0.17790E-01 -0.12114E-01 363 0.655E-01 0.117E+00
DAV: 13 -0.383424904321E+03 0.24247E-01 -0.27072E-01 363 0.556E-01 0.521E-01
DAV: 14 -0.383416119148E+03 0.87852E-02 -0.23364E-02 309 0.429E-01 0.589E-01
DAV: 15 -0.383413637035E+03 0.24821E-02 -0.14348E-02 336 0.308E-01 0.575E-01
DAV: 16 -0.383413201088E+03 0.43595E-03 -0.89739E-03 300 0.230E-01 0.280E-01
DAV: 17 -0.383422550942E+03 -0.93499E-02 -0.73606E-03 318 0.210E-01 0.106E-01
DAV: 18 -0.383436701520E+03 -0.14151E-01 -0.43408E-03 291 0.235E-01 0.865E-02
DAV: 19 -0.383443650480E+03 -0.69490E-02 -0.20028E-03 327 0.120E-01 0.116E-01
DAV: 20 -0.383448238913E+03 -0.45884E-02 -0.32700E-04 327 0.446E-02 0.133E-01
DAV: 21 -0.383457065606E+03 -0.88267E-02 -0.15036E-03 309 0.723E-02 0.790E-02
DAV: 22 -0.383460168872E+03 -0.31033E-02 -0.38029E-04 318 0.443E-02 0.487E-02
DAV: 23 -0.383461891291E+03 -0.17224E-02 -0.20376E-04 345 0.322E-02 0.335E-02
DAV: 24 -0.383463016136E+03 -0.11248E-02 -0.41319E-05 282 0.143E-02 0.227E-02
DAV: 25 -0.383465557344E+03 -0.25412E-02 -0.19266E-04 300 0.232E-02 0.841E-03
DAV: 26 -0.383465874833E+03 -0.31749E-03 -0.92649E-06 246 0.723E-03 0.895E-03
DAV: 27 -0.383466023048E+03 -0.14821E-03 -0.59086E-06 237 0.569E-03 0.921E-03
DAV: 28 -0.383466366149E+03 -0.34310E-03 -0.11030E-05 201 0.779E-03 0.561E-03
DAV: 29 -0.383466457416E+03 -0.91267E-04 -0.63668E-06 228 0.550E-03 0.489E-03
DAV: 30 -0.383466465076E+03 -0.76607E-05 -0.15251E-06 246 0.301E-03
1 F= -.38346647E+03 E0= -.38348315E+03 d E =0.500695E-01