./iterations/neb0_image09_iter2_OSZICAR.out output for 3: 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.145331442627E+04 0.14533E+04 -0.44305E+04 330 0.697E+02
DAV: 2 0.237973426361E+03 -0.12153E+04 -0.11424E+04 417 0.163E+02
DAV: 3 -0.356063591029E+03 -0.59404E+03 -0.58881E+03 345 0.114E+02
DAV: 4 -0.430928989165E+03 -0.74865E+02 -0.74565E+02 309 0.521E+01
DAV: 5 -0.432642044106E+03 -0.17131E+01 -0.17095E+01 336 0.815E+00 0.426E+01
DAV: 6 -0.386818329801E+03 0.45824E+02 -0.14691E+02 309 0.287E+01 0.209E+01
DAV: 7 -0.383354205973E+03 0.34641E+01 -0.12699E+01 345 0.785E+00 0.104E+01
DAV: 8 -0.381948100952E+03 0.14061E+01 -0.18739E+00 327 0.381E+00 0.424E+00
DAV: 9 -0.381379951844E+03 0.56815E+00 -0.56754E-01 336 0.193E+00 0.885E-01
DAV: 10 -0.381326022485E+03 0.53929E-01 -0.11062E-01 336 0.930E-01 0.658E-01
DAV: 11 -0.381293166535E+03 0.32856E-01 -0.20728E-02 327 0.503E-01 0.381E-01
DAV: 12 -0.381267870152E+03 0.25296E-01 -0.33025E-02 354 0.669E-01 0.246E-01
DAV: 13 -0.381265520451E+03 0.23497E-02 -0.17987E-02 327 0.445E-01 0.196E-01
DAV: 14 -0.381271891011E+03 -0.63706E-02 -0.69421E-03 318 0.266E-01 0.126E-01
DAV: 15 -0.381278618910E+03 -0.67279E-02 -0.25095E-03 309 0.220E-01 0.878E-02
DAV: 16 -0.381291276184E+03 -0.12657E-01 -0.50781E-03 309 0.238E-01 0.437E-02
DAV: 17 -0.381299539130E+03 -0.82629E-02 -0.20707E-03 309 0.130E-01 0.467E-02
DAV: 18 -0.381302888165E+03 -0.33490E-02 -0.20679E-04 327 0.387E-02 0.363E-02
DAV: 19 -0.381309029728E+03 -0.61416E-02 -0.41478E-04 300 0.445E-02 0.204E-02
DAV: 20 -0.381313212727E+03 -0.41830E-02 -0.27740E-04 336 0.347E-02 0.203E-02
DAV: 21 -0.381314617260E+03 -0.14045E-02 -0.78186E-05 318 0.231E-02 0.137E-02
DAV: 22 -0.381315128097E+03 -0.51084E-03 -0.17455E-05 246 0.124E-02 0.788E-03
DAV: 23 -0.381315894509E+03 -0.76641E-03 -0.36018E-05 255 0.130E-02 0.467E-03
DAV: 24 -0.381316234148E+03 -0.33964E-03 -0.84538E-06 228 0.784E-03 0.263E-03
DAV: 25 -0.381316454363E+03 -0.22022E-03 -0.10464E-05 228 0.593E-03 0.182E-03
DAV: 26 -0.381316521441E+03 -0.67078E-04 -0.18302E-06 237 0.382E-03 0.165E-03
DAV: 27 -0.381316587826E+03 -0.66385E-04 -0.20432E-06 201 0.289E-03 0.174E-03
DAV: 28 -0.381316612603E+03 -0.24777E-04 -0.16200E-06 228 0.416E-03 0.144E-03
DAV: 29 -0.381316619253E+03 -0.66501E-05 -0.81570E-07 237 0.245E-03
1 F= -.38131662E+03 E0= -.38132048E+03 d E =0.115965E-01