iterations/neb0_image04_iter43_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 0.144876620680E+04 0.14488E+04 -0.44211E+04 330 0.697E+02
DAV: 2 0.227996346702E+03 -0.12208E+04 -0.11443E+04 426 0.163E+02
DAV: 3 -0.365013924296E+03 -0.59301E+03 -0.58967E+03 354 0.114E+02
DAV: 4 -0.433397491209E+03 -0.68384E+02 -0.68143E+02 309 0.495E+01
DAV: 5 -0.434925261434E+03 -0.15278E+01 -0.15252E+01 336 0.762E+00 0.427E+01
DAV: 6 -0.388984351764E+03 0.45941E+02 -0.14870E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385518670873E+03 0.34657E+01 -0.13185E+01 345 0.777E+00 0.104E+01
DAV: 8 -0.384036816407E+03 0.14819E+01 -0.19260E+00 336 0.383E+00 0.431E+00
DAV: 9 -0.383516482215E+03 0.52033E+00 -0.15055E+00 336 0.224E+00 0.117E+00
DAV: 10 -0.383440570697E+03 0.75912E-01 -0.17342E-01 327 0.976E-01 0.948E-01
DAV: 11 -0.383414961270E+03 0.25609E-01 -0.13313E-01 336 0.580E-01 0.942E-01
DAV: 12 -0.383399503138E+03 0.15458E-01 -0.13820E-01 354 0.656E-01 0.118E+00
DAV: 13 -0.383373461856E+03 0.26041E-01 -0.25882E-01 354 0.578E-01 0.519E-01
DAV: 14 -0.383363356918E+03 0.10105E-01 -0.19171E-02 309 0.431E-01 0.581E-01
DAV: 15 -0.383361606707E+03 0.17502E-02 -0.18367E-02 327 0.279E-01 0.553E-01
DAV: 16 -0.383361223109E+03 0.38360E-03 -0.10430E-02 309 0.236E-01 0.259E-01
DAV: 17 -0.383369720421E+03 -0.84973E-02 -0.53319E-03 327 0.189E-01 0.117E-01
DAV: 18 -0.383384029253E+03 -0.14309E-01 -0.44481E-03 291 0.236E-01 0.913E-02
DAV: 19 -0.383392028895E+03 -0.79996E-02 -0.23308E-03 327 0.130E-01 0.117E-01
DAV: 20 -0.383396570059E+03 -0.45412E-02 -0.37747E-04 336 0.458E-02 0.147E-01
DAV: 21 -0.383404392720E+03 -0.78227E-02 -0.15201E-03 327 0.702E-02 0.786E-02
DAV: 22 -0.383408463369E+03 -0.40706E-02 -0.42450E-04 318 0.460E-02 0.562E-02
DAV: 23 -0.383410076296E+03 -0.16129E-02 -0.16891E-04 363 0.298E-02 0.253E-02
DAV: 24 -0.383411419214E+03 -0.13429E-02 -0.45889E-05 282 0.168E-02 0.239E-02
DAV: 25 -0.383413322022E+03 -0.19028E-02 -0.10064E-04 291 0.183E-02 0.159E-02
DAV: 26 -0.383414054304E+03 -0.73228E-03 -0.39264E-05 291 0.110E-02 0.751E-03
DAV: 27 -0.383414361471E+03 -0.30717E-03 -0.12062E-05 219 0.682E-03 0.795E-03
DAV: 28 -0.383414593301E+03 -0.23183E-03 -0.95788E-06 219 0.645E-03 0.542E-03
DAV: 29 -0.383414705959E+03 -0.11266E-03 -0.48959E-06 210 0.604E-03 0.363E-03
DAV: 30 -0.383414740346E+03 -0.34386E-04 -0.40598E-06 237 0.569E-03 0.376E-03
DAV: 31 -0.383414778007E+03 -0.37661E-04 -0.13835E-06 192 0.262E-03 0.315E-03
DAV: 32 -0.383414801440E+03 -0.23433E-04 -0.10068E-06 228 0.242E-03 0.153E-03
DAV: 33 -0.383414816036E+03 -0.14596E-04 -0.62734E-07 210 0.172E-03 0.639E-04
DAV: 34 -0.383414822924E+03 -0.68883E-05 -0.29145E-07 228 0.101E-03
1 F= -.38341482E+03 E0= -.38343145E+03 d E =0.498884E-01