iterations/neb0_image06_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 0.144965328806E+04 0.14497E+04 -0.44226E+04 330 0.697E+02
DAV: 2 0.231001426791E+03 -0.12187E+04 -0.11422E+04 417 0.163E+02
DAV: 3 -0.361433997893E+03 -0.59244E+03 -0.58918E+03 345 0.114E+02
DAV: 4 -0.433053229494E+03 -0.71619E+02 -0.71381E+02 300 0.514E+01
DAV: 5 -0.434714896057E+03 -0.16617E+01 -0.16584E+01 327 0.797E+00 0.426E+01
DAV: 6 -0.388884291904E+03 0.45831E+02 -0.14756E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385427160537E+03 0.34571E+01 -0.13166E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.383957119100E+03 0.14700E+01 -0.18118E+00 327 0.378E+00 0.427E+00
DAV: 9 -0.383424612477E+03 0.53251E+00 -0.12920E+00 336 0.211E+00 0.105E+00
DAV: 10 -0.383355843269E+03 0.68769E-01 -0.12962E-01 336 0.958E-01 0.874E-01
DAV: 11 -0.383324210173E+03 0.31633E-01 -0.63794E-02 336 0.685E-01 0.795E-01
DAV: 12 -0.383303193956E+03 0.21016E-01 -0.11194E-01 327 0.456E-01 0.488E-01
DAV: 13 -0.383289746560E+03 0.13447E-01 -0.29795E-02 309 0.480E-01 0.734E-01
DAV: 14 -0.383280704299E+03 0.90423E-02 -0.67660E-02 318 0.397E-01 0.203E-01
DAV: 15 -0.383289429600E+03 -0.87253E-02 -0.12843E-02 300 0.362E-01 0.301E-01
DAV: 16 -0.383291891878E+03 -0.24623E-02 -0.15745E-02 327 0.210E-01 0.231E-01
DAV: 17 -0.383295810415E+03 -0.39185E-02 -0.24863E-03 282 0.110E-01 0.128E-01
DAV: 18 -0.383305167193E+03 -0.93568E-02 -0.24322E-03 291 0.138E-01 0.790E-02
DAV: 19 -0.383311821321E+03 -0.66541E-02 -0.10054E-03 336 0.980E-02 0.721E-02
DAV: 20 -0.383320627257E+03 -0.88059E-02 -0.82347E-04 300 0.864E-02 0.566E-02
DAV: 21 -0.383325463697E+03 -0.48364E-02 -0.29888E-04 336 0.485E-02 0.449E-02
DAV: 22 -0.383329460877E+03 -0.39972E-02 -0.19704E-04 300 0.340E-02 0.339E-02
DAV: 23 -0.383331941602E+03 -0.24807E-02 -0.15007E-04 336 0.233E-02 0.167E-02
DAV: 24 -0.383333999338E+03 -0.20577E-02 -0.10399E-04 300 0.210E-02 0.995E-03
DAV: 25 -0.383334801264E+03 -0.80193E-03 -0.42122E-05 282 0.139E-02 0.136E-02
DAV: 26 -0.383335195770E+03 -0.39451E-03 -0.11453E-05 237 0.878E-03 0.841E-03
DAV: 27 -0.383335543302E+03 -0.34753E-03 -0.27864E-05 255 0.118E-02 0.570E-03
DAV: 28 -0.383335669889E+03 -0.12659E-03 -0.27029E-06 228 0.545E-03 0.421E-03
DAV: 29 -0.383335759820E+03 -0.89931E-04 -0.44088E-06 192 0.511E-03 0.234E-03
DAV: 30 -0.383335810005E+03 -0.50185E-04 -0.13592E-06 219 0.290E-03 0.166E-03
DAV: 31 -0.383335848575E+03 -0.38570E-04 -0.12573E-06 201 0.245E-03 0.174E-03
DAV: 32 -0.383335869629E+03 -0.21054E-04 -0.99747E-07 219 0.257E-03 0.968E-04
DAV: 33 -0.383335876290E+03 -0.66606E-05 -0.46253E-07 237 0.152E-03
1 F= -.38333588E+03 E0= -.38335289E+03 d E =0.510467E-01