iterations/neb0_image09_iter34_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 0.144495042875E+04 0.14450E+04 -0.44227E+04 330 0.697E+02
DAV: 2 0.238543026996E+03 -0.12064E+04 -0.11326E+04 408 0.163E+02
DAV: 3 -0.359941455154E+03 -0.59848E+03 -0.59330E+03 363 0.115E+02
DAV: 4 -0.430754053289E+03 -0.70813E+02 -0.70586E+02 300 0.497E+01
DAV: 5 -0.432357091248E+03 -0.16030E+01 -0.15994E+01 327 0.773E+00 0.424E+01
DAV: 6 -0.387091778338E+03 0.45265E+02 -0.14808E+02 309 0.287E+01 0.207E+01
DAV: 7 -0.383733495912E+03 0.33583E+01 -0.12750E+01 345 0.774E+00 0.103E+01
DAV: 8 -0.382276882862E+03 0.14566E+01 -0.19780E+00 327 0.382E+00 0.429E+00
DAV: 9 -0.381706743150E+03 0.57014E+00 -0.64403E-01 318 0.198E+00 0.102E+00
DAV: 10 -0.381655065472E+03 0.51678E-01 -0.27197E-01 336 0.109E+00 0.829E-01
DAV: 11 -0.381639763522E+03 0.15302E-01 -0.11396E-01 336 0.563E-01 0.617E-01
DAV: 12 -0.381610453599E+03 0.29310E-01 -0.21102E-02 327 0.421E-01 0.379E-01
DAV: 13 -0.381602617732E+03 0.78359E-02 -0.13935E-01 372 0.613E-01 0.966E-01
DAV: 14 -0.381591772603E+03 0.10845E-01 -0.12318E-01 372 0.400E-01 0.331E-01
DAV: 15 -0.381593820542E+03 -0.20479E-02 -0.87062E-03 300 0.215E-01 0.242E-01
DAV: 16 -0.381602209993E+03 -0.83895E-02 -0.48636E-03 291 0.234E-01 0.287E-01
DAV: 17 -0.381610189549E+03 -0.79796E-02 -0.43654E-03 318 0.216E-01 0.227E-01
DAV: 18 -0.381615592453E+03 -0.54029E-02 -0.26023E-03 363 0.147E-01 0.103E-01
DAV: 19 -0.381617455612E+03 -0.18632E-02 -0.46629E-04 327 0.620E-02 0.102E-01
DAV: 20 -0.381619501374E+03 -0.20458E-02 -0.18343E-04 390 0.537E-02 0.940E-02
DAV: 21 -0.381631766432E+03 -0.12265E-01 -0.53941E-03 399 0.240E-01 0.409E-01
DAV: 22 -0.381631667689E+03 0.98743E-04 -0.19331E-03 318 0.994E-02 0.322E-01
DAV: 23 -0.381631652774E+03 0.14916E-04 -0.84800E-04 345 0.571E-02 0.193E-01
DAV: 24 -0.381634627183E+03 -0.29744E-02 -0.50464E-04 291 0.603E-02 0.105E-01
DAV: 25 -0.381636473438E+03 -0.18463E-02 -0.23651E-04 363 0.413E-02 0.548E-02
DAV: 26 -0.381639097925E+03 -0.26245E-02 -0.21720E-04 300 0.344E-02 0.435E-02
DAV: 27 -0.381640963741E+03 -0.18658E-02 -0.10551E-04 327 0.254E-02 0.393E-02
DAV: 28 -0.381641974443E+03 -0.10107E-02 -0.48376E-05 309 0.143E-02 0.377E-02
DAV: 29 -0.381642542406E+03 -0.56796E-03 -0.24211E-05 264 0.123E-02 0.229E-02
DAV: 30 -0.381643040069E+03 -0.49766E-03 -0.58845E-05 291 0.189E-02 0.622E-03
DAV: 31 -0.381643091016E+03 -0.50947E-04 -0.11420E-05 282 0.809E-03 0.497E-03
DAV: 32 -0.381643165916E+03 -0.74900E-04 -0.17315E-06 201 0.342E-03 0.368E-03
DAV: 33 -0.381643256408E+03 -0.90491E-04 -0.29103E-06 210 0.405E-03 0.506E-03
DAV: 34 -0.381643307082E+03 -0.50674E-04 -0.21500E-06 219 0.354E-03 0.514E-03
DAV: 35 -0.381643325894E+03 -0.18812E-04 -0.11154E-06 210 0.264E-03 0.419E-03
DAV: 36 -0.381643332948E+03 -0.70543E-05 -0.48497E-07 228 0.216E-03
1 F= -.38164333E+03 E0= -.38166200E+03 d E =0.560159E-01