iterations/neb0_image04_iter39_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 0.142589737934E+04 0.14259E+04 -0.44083E+04 330 0.697E+02
DAV: 2 0.234559367719E+03 -0.11913E+04 -0.11170E+04 408 0.161E+02
DAV: 3 -0.352916908115E+03 -0.58748E+03 -0.58347E+03 363 0.115E+02
DAV: 4 -0.423268223748E+03 -0.70351E+02 -0.69947E+02 309 0.493E+01
DAV: 5 -0.424975745801E+03 -0.17075E+01 -0.17027E+01 327 0.784E+00 0.418E+01
DAV: 6 -0.381209660630E+03 0.43766E+02 -0.14801E+02 309 0.283E+01 0.206E+01
DAV: 7 -0.377941037708E+03 0.32686E+01 -0.12477E+01 336 0.814E+00 0.103E+01
DAV: 8 -0.376448186556E+03 0.14929E+01 -0.19818E+00 327 0.405E+00 0.442E+00
DAV: 9 -0.375932470672E+03 0.51572E+00 -0.77784E-01 327 0.212E+00 0.140E+00
DAV: 10 -0.375873783956E+03 0.58687E-01 -0.41684E-01 372 0.115E+00 0.995E-01
DAV: 11 -0.375841795864E+03 0.31988E-01 -0.55750E-02 327 0.643E-01 0.103E+00
DAV: 12 -0.375825207664E+03 0.16588E-01 -0.12913E-01 354 0.421E-01 0.668E-01
DAV: 13 -0.375812148118E+03 0.13060E-01 -0.48244E-02 354 0.514E-01 0.936E-01
DAV: 14 -0.375799971937E+03 0.12176E-01 -0.12348E-01 363 0.367E-01 0.386E-01
DAV: 15 -0.375799133885E+03 0.83805E-03 -0.15281E-02 345 0.303E-01 0.311E-01
DAV: 16 -0.375803826431E+03 -0.46925E-02 -0.12094E-02 318 0.264E-01 0.167E-01
DAV: 17 -0.375811196646E+03 -0.73702E-02 -0.50059E-03 300 0.165E-01 0.107E-01
DAV: 18 -0.375822689736E+03 -0.11493E-01 -0.60154E-03 309 0.159E-01 0.248E-01
DAV: 19 -0.375829624226E+03 -0.69345E-02 -0.73763E-03 327 0.139E-01 0.768E-02
DAV: 20 -0.375835340967E+03 -0.57167E-02 -0.96717E-04 318 0.765E-02 0.497E-02
DAV: 21 -0.375841145586E+03 -0.58046E-02 -0.43649E-04 309 0.437E-02 0.302E-02
DAV: 22 -0.375846456108E+03 -0.53105E-02 -0.30285E-04 327 0.370E-02 0.313E-02
DAV: 23 -0.375849185473E+03 -0.27294E-02 -0.17769E-04 345 0.275E-02 0.109E-02
DAV: 24 -0.375850698455E+03 -0.15130E-02 -0.60610E-05 291 0.161E-02 0.828E-03
DAV: 25 -0.375851642347E+03 -0.94389E-03 -0.33085E-05 282 0.115E-02 0.580E-03
DAV: 26 -0.375852316031E+03 -0.67368E-03 -0.36442E-05 282 0.126E-02 0.395E-03
DAV: 27 -0.375852506921E+03 -0.19089E-03 -0.81990E-06 237 0.754E-03 0.393E-03
DAV: 28 -0.375852607837E+03 -0.10092E-03 -0.36683E-06 219 0.537E-03 0.214E-03
DAV: 29 -0.375852688673E+03 -0.80835E-04 -0.50969E-06 219 0.608E-03 0.201E-03
DAV: 30 -0.375852729011E+03 -0.40338E-04 -0.50561E-06 228 0.663E-03 0.196E-03
DAV: 31 -0.375852737313E+03 -0.83023E-05 -0.37318E-06 228 0.493E-03
1 F= -.37585274E+03 E0= -.37587597E+03 d E =0.697124E-01