iterations/neb0_image06_iter57_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 0.144790040927E+04 0.14479E+04 -0.44241E+04 330 0.697E+02
DAV: 2 0.231462958036E+03 -0.12164E+04 -0.11395E+04 417 0.163E+02
DAV: 3 -0.367364188805E+03 -0.59883E+03 -0.59543E+03 363 0.114E+02
DAV: 4 -0.432925376433E+03 -0.65561E+02 -0.65305E+02 309 0.475E+01
DAV: 5 -0.434354492184E+03 -0.14291E+01 -0.14269E+01 345 0.736E+00 0.428E+01
DAV: 6 -0.388346289850E+03 0.46008E+02 -0.15168E+02 309 0.288E+01 0.209E+01
DAV: 7 -0.384892445840E+03 0.34538E+01 -0.12908E+01 345 0.772E+00 0.104E+01
DAV: 8 -0.383405514520E+03 0.14869E+01 -0.18743E+00 327 0.381E+00 0.431E+00
DAV: 9 -0.382867350361E+03 0.53816E+00 -0.12821E+00 336 0.208E+00 0.105E+00
DAV: 10 -0.382799438238E+03 0.67912E-01 -0.11434E-01 336 0.899E-01 0.862E-01
DAV: 11 -0.382766651915E+03 0.32786E-01 -0.82713E-02 354 0.724E-01 0.897E-01
DAV: 12 -0.382745075844E+03 0.21576E-01 -0.16184E-01 327 0.509E-01 0.498E-01
DAV: 13 -0.382729623406E+03 0.15452E-01 -0.34620E-02 309 0.442E-01 0.409E-01
DAV: 14 -0.382725581399E+03 0.40420E-02 -0.10846E-02 327 0.310E-01 0.417E-01
DAV: 15 -0.382728946799E+03 -0.33654E-02 -0.21692E-02 318 0.251E-01 0.139E-01
DAV: 16 -0.382742164438E+03 -0.13218E-01 -0.54095E-03 300 0.238E-01 0.271E-01
DAV: 17 -0.382747065457E+03 -0.49010E-02 -0.25694E-03 327 0.149E-01 0.120E-01
DAV: 18 -0.382753763934E+03 -0.66985E-02 -0.10897E-03 327 0.867E-02 0.516E-02
DAV: 19 -0.382762875814E+03 -0.91119E-02 -0.62530E-04 309 0.696E-02 0.382E-02
DAV: 20 -0.382769533764E+03 -0.66580E-02 -0.40199E-04 327 0.519E-02 0.315E-02
DAV: 21 -0.382773236189E+03 -0.37024E-02 -0.16141E-04 318 0.308E-02 0.207E-02
DAV: 22 -0.382776030739E+03 -0.27945E-02 -0.11166E-04 309 0.204E-02 0.126E-02
DAV: 23 -0.382777999548E+03 -0.19688E-02 -0.91692E-05 300 0.165E-02 0.152E-02
DAV: 24 -0.382779061281E+03 -0.10617E-02 -0.51048E-05 291 0.144E-02 0.845E-03
DAV: 25 -0.382779463815E+03 -0.40253E-03 -0.13164E-05 246 0.844E-03 0.656E-03
DAV: 26 -0.382779700032E+03 -0.23622E-03 -0.11543E-05 219 0.627E-03 0.256E-03
DAV: 27 -0.382779821230E+03 -0.12120E-03 -0.24964E-06 228 0.366E-03 0.189E-03
DAV: 28 -0.382779934589E+03 -0.11336E-03 -0.39670E-06 192 0.360E-03 0.152E-03
DAV: 29 -0.382779960209E+03 -0.25620E-04 -0.99860E-07 228 0.209E-03 0.179E-03
DAV: 30 -0.382779986636E+03 -0.26428E-04 -0.99542E-07 192 0.218E-03 0.803E-04
DAV: 31 -0.382779995838E+03 -0.92014E-05 -0.45609E-07 228 0.132E-03
1 F= -.38278000E+03 E0= -.38279681E+03 d E =0.504542E-01