iterations/neb0_image05_iter65_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 0.144747958691E+04 0.14475E+04 -0.44224E+04 330 0.697E+02
DAV: 2 0.230113985076E+03 -0.12174E+04 -0.11405E+04 417 0.163E+02
DAV: 3 -0.364401980959E+03 -0.59452E+03 -0.59135E+03 354 0.114E+02
DAV: 4 -0.433194081113E+03 -0.68792E+02 -0.68538E+02 309 0.496E+01
DAV: 5 -0.434750997127E+03 -0.15569E+01 -0.15541E+01 336 0.771E+00 0.427E+01
DAV: 6 -0.388790813923E+03 0.45960E+02 -0.14955E+02 309 0.286E+01 0.209E+01
DAV: 7 -0.385317843726E+03 0.34730E+01 -0.13055E+01 345 0.777E+00 0.104E+01
DAV: 8 -0.383857520372E+03 0.14603E+01 -0.21421E+00 327 0.382E+00 0.430E+00
DAV: 9 -0.383289575419E+03 0.56794E+00 -0.87213E-01 336 0.207E+00 0.110E+00
DAV: 10 -0.383229689020E+03 0.59886E-01 -0.22228E-01 336 0.101E+00 0.822E-01
DAV: 11 -0.383208242105E+03 0.21447E-01 -0.75882E-02 336 0.505E-01 0.655E-01
DAV: 12 -0.383187854451E+03 0.20388E-01 -0.77663E-02 336 0.482E-01 0.541E-01
DAV: 13 -0.383164217195E+03 0.23637E-01 -0.41086E-02 327 0.493E-01 0.289E-01
DAV: 14 -0.383166760754E+03 -0.25436E-02 -0.23044E-02 318 0.367E-01 0.337E-01
DAV: 15 -0.383171345499E+03 -0.45847E-02 -0.21624E-02 309 0.272E-01 0.258E-01
DAV: 16 -0.383179476767E+03 -0.81313E-02 -0.66181E-03 309 0.227E-01 0.123E-01
DAV: 17 -0.383190783235E+03 -0.11306E-01 -0.47706E-03 300 0.177E-01 0.105E-01
DAV: 18 -0.383197600244E+03 -0.68170E-02 -0.17804E-03 336 0.111E-01 0.658E-02
DAV: 19 -0.383205814751E+03 -0.82145E-02 -0.54779E-04 309 0.601E-02 0.350E-02
DAV: 20 -0.383213736826E+03 -0.79221E-02 -0.54951E-04 309 0.505E-02 0.226E-02
DAV: 21 -0.383215885904E+03 -0.21491E-02 -0.79458E-05 318 0.239E-02 0.147E-02
DAV: 22 -0.383218767492E+03 -0.28816E-02 -0.20427E-04 300 0.311E-02 0.199E-02
DAV: 23 -0.383219466734E+03 -0.69924E-03 -0.25138E-05 237 0.146E-02 0.815E-03
DAV: 24 -0.383220270856E+03 -0.80412E-03 -0.58414E-05 291 0.191E-02 0.773E-03
DAV: 25 -0.383220602501E+03 -0.33164E-03 -0.11725E-05 237 0.119E-02 0.374E-03
DAV: 26 -0.383220798302E+03 -0.19580E-03 -0.12994E-05 237 0.865E-03 0.548E-03
DAV: 27 -0.383220945164E+03 -0.14686E-03 -0.36989E-06 201 0.454E-03 0.372E-03
DAV: 28 -0.383221013634E+03 -0.68471E-04 -0.55033E-06 210 0.770E-03 0.171E-03
DAV: 29 -0.383221039756E+03 -0.26122E-04 -0.19744E-06 228 0.371E-03 0.241E-03
DAV: 30 -0.383221062566E+03 -0.22810E-04 -0.78634E-07 192 0.183E-03 0.244E-03
DAV: 31 -0.383221080125E+03 -0.17559E-04 -0.14241E-06 219 0.458E-03 0.628E-04
DAV: 32 -0.383221084794E+03 -0.46691E-05 -0.10263E-06 228 0.269E-03
1 F= -.38322108E+03 E0= -.38323444E+03 d E =0.400550E-01