iterations/neb0_image04_iter41_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 0.133492124039E+04 0.13349E+04 -0.43367E+04 330 0.696E+02
DAV: 2 0.219382769938E+03 -0.11155E+04 -0.10530E+04 417 0.158E+02
DAV: 3 -0.300189469186E+03 -0.51957E+03 -0.50615E+03 354 0.107E+02
DAV: 4 -0.375540926940E+03 -0.75351E+02 -0.73790E+02 309 0.479E+01
DAV: 5 -0.377989560474E+03 -0.24486E+01 -0.24357E+01 354 0.871E+00 0.414E+01
DAV: 6 -0.364220913197E+03 0.13769E+02 -0.38127E+02 309 0.323E+01 0.403E+01
DAV: 7 -0.342796108256E+03 0.21425E+02 -0.18270E+02 354 0.146E+01 0.250E+01
DAV: 8 -0.341517248327E+03 0.12789E+01 -0.18334E+02 327 0.104E+01 0.207E+01
DAV: 9 -0.333130043040E+03 0.83872E+01 -0.23523E+01 336 0.761E+00 0.134E+01
DAV: 10 -0.335655819645E+03 -0.25258E+01 -0.52952E+01 327 0.509E+00 0.180E+01
DAV: 11 -0.333629254847E+03 0.20266E+01 -0.32790E+01 309 0.290E+00 0.125E+01
DAV: 12 -0.332441417887E+03 0.11878E+01 -0.12731E+01 336 0.258E+00 0.141E+01
DAV: 13 -0.332786844444E+03 -0.34543E+00 -0.36654E+01 345 0.207E+00 0.118E+01
DAV: 14 -0.331932040264E+03 0.85480E+00 -0.62489E+00 318 0.144E+00 0.777E+00
DAV: 15 -0.331776572071E+03 0.15547E+00 -0.11117E-01 300 0.664E-01 0.703E+00
DAV: 16 -0.331817494317E+03 -0.40922E-01 -0.13609E-01 390 0.364E-01 0.861E+00
DAV: 17 -0.331866596409E+03 -0.49102E-01 -0.10384E-02 300 0.181E-01 0.901E+00
DAV: 18 -0.331571580160E+03 0.29502E+00 -0.54548E-02 354 0.371E-01 0.769E+00
DAV: 19 -0.331214415585E+03 0.35716E+00 -0.28481E-01 390 0.588E-01 0.484E+00
DAV: 20 -0.331167327865E+03 0.47088E-01 -0.47571E-01 336 0.531E-01 0.254E+00
DAV: 21 -0.331263233145E+03 -0.95905E-01 -0.24672E-01 345 0.392E-01 0.438E+00
DAV: 22 -0.331311472729E+03 -0.48240E-01 -0.29797E-02 354 0.384E-01 0.437E+00
DAV: 23 -0.331325314340E+03 -0.13842E-01 -0.72737E-03 363 0.424E-01 0.428E+00
DAV: 24 -0.331261453909E+03 0.63860E-01 -0.62349E-01 363 0.569E-01 0.210E+00
DAV: 25 -0.331278396035E+03 -0.16942E-01 -0.13355E-01 291 0.311E-01 0.260E+00
DAV: 26 -0.331198432315E+03 0.79964E-01 -0.13820E-01 381 0.459E-01 0.163E+00
DAV: 27 -0.331198923037E+03 -0.49072E-03 -0.31276E-02 300 0.270E-01 0.148E+00
DAV: 28 -0.331186094258E+03 0.12829E-01 -0.52753E-03 363 0.308E-01 0.188E+00
DAV: 29 -0.331186402650E+03 -0.30839E-03 -0.49243E-03 309 0.184E-01 0.131E+00
DAV: 30 -0.331191184987E+03 -0.47823E-02 -0.49327E-03 363 0.159E-01 0.123E+00
DAV: 31 -0.331206246587E+03 -0.15062E-01 -0.35608E-02 354 0.179E-01 0.163E+00
DAV: 32 -0.331188668537E+03 0.17578E-01 -0.50178E-03 372 0.199E-01 0.108E+00
DAV: 33 -0.331186902815E+03 0.17657E-02 -0.68404E-03 336 0.183E-01 0.594E-01
DAV: 34 -0.331193006915E+03 -0.61041E-02 -0.38697E-03 372 0.144E-01 0.427E-01
DAV: 35 -0.331198516620E+03 -0.55097E-02 -0.52582E-03 354 0.115E-01 0.586E-01
DAV: 36 -0.331198817517E+03 -0.30090E-03 -0.12353E-03 318 0.689E-02 0.607E-01
DAV: 37 -0.331198733877E+03 0.83640E-04 -0.30185E-03 390 0.824E-02 0.442E-01
DAV: 38 -0.331199171635E+03 -0.43776E-03 -0.27274E-03 318 0.644E-02 0.119E-01
DAV: 39 -0.331200642338E+03 -0.14707E-02 -0.55659E-04 291 0.510E-02 0.844E-02
DAV: 40 -0.331201639787E+03 -0.99745E-03 -0.17464E-04 318 0.254E-02 0.852E-02
DAV: 41 -0.331202039293E+03 -0.39951E-03 -0.82894E-05 264 0.153E-02 0.517E-02
DAV: 42 -0.331202579554E+03 -0.54026E-03 -0.35816E-05 273 0.112E-02 0.322E-02
DAV: 43 -0.331202884353E+03 -0.30480E-03 -0.16781E-05 237 0.767E-03 0.348E-02
DAV: 44 -0.331203105070E+03 -0.22072E-03 -0.32559E-05 246 0.931E-03 0.164E-02
DAV: 45 -0.331203176787E+03 -0.71717E-04 -0.66941E-06 210 0.529E-03 0.158E-02
DAV: 46 -0.331203220797E+03 -0.44010E-04 -0.34686E-06 210 0.317E-03 0.779E-03
DAV: 47 -0.331203260424E+03 -0.39627E-04 -0.15962E-06 219 0.214E-03 0.545E-03
DAV: 48 -0.331203283198E+03 -0.22774E-04 -0.11454E-06 201 0.170E-03 0.416E-03
DAV: 49 -0.331203295267E+03 -0.12069E-04 -0.57791E-07 210 0.133E-03 0.261E-03
DAV: 50 -0.331203304018E+03 -0.87508E-05 -0.42810E-07 201 0.100E-03
1 F= -.33120330E+03 E0= -.33117585E+03 d E =-.823672E-01