iterations/neb0_image05_iter38_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 0.144907347518E+04 0.14491E+04 -0.44220E+04 330 0.697E+02
DAV: 2 0.231229068429E+03 -0.12178E+04 -0.11410E+04 417 0.163E+02
DAV: 3 -0.361623235028E+03 -0.59285E+03 -0.58964E+03 345 0.114E+02
DAV: 4 -0.433118986062E+03 -0.71496E+02 -0.71248E+02 309 0.514E+01
DAV: 5 -0.434771108630E+03 -0.16521E+01 -0.16492E+01 327 0.797E+00 0.426E+01
DAV: 6 -0.388884386552E+03 0.45887E+02 -0.14735E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385425099142E+03 0.34593E+01 -0.13388E+01 345 0.782E+00 0.104E+01
DAV: 8 -0.383966592804E+03 0.14585E+01 -0.21586E+00 327 0.384E+00 0.432E+00
DAV: 9 -0.383407919779E+03 0.55867E+00 -0.11580E+00 336 0.228E+00 0.111E+00
DAV: 10 -0.383345956735E+03 0.61963E-01 -0.17938E-01 336 0.971E-01 0.961E-01
DAV: 11 -0.383328631671E+03 0.17325E-01 -0.17737E-01 345 0.574E-01 0.831E-01
DAV: 12 -0.383296513000E+03 0.32119E-01 -0.37682E-02 318 0.474E-01 0.465E-01
DAV: 13 -0.383283042755E+03 0.13470E-01 -0.18830E-02 327 0.393E-01 0.461E-01
DAV: 14 -0.383278506591E+03 0.45362E-02 -0.56003E-02 327 0.463E-01 0.664E-01
DAV: 15 -0.383277219973E+03 0.12866E-02 -0.43187E-02 327 0.351E-01 0.348E-01
DAV: 16 -0.383279366940E+03 -0.21470E-02 -0.43082E-03 318 0.181E-01 0.245E-01
DAV: 17 -0.383285430121E+03 -0.60632E-02 -0.39261E-03 291 0.166E-01 0.114E-01
DAV: 18 -0.383297651255E+03 -0.12221E-01 -0.38560E-03 291 0.177E-01 0.200E-01
DAV: 19 -0.383304575669E+03 -0.69244E-02 -0.14678E-03 336 0.138E-01 0.110E-01
DAV: 20 -0.383312502250E+03 -0.79266E-02 -0.13905E-03 336 0.114E-01 0.569E-02
DAV: 21 -0.383317033868E+03 -0.45316E-02 -0.26770E-04 318 0.440E-02 0.469E-02
DAV: 22 -0.383320116933E+03 -0.30831E-02 -0.12204E-04 309 0.268E-02 0.206E-02
DAV: 23 -0.383325287340E+03 -0.51704E-02 -0.30619E-04 291 0.313E-02 0.126E-02
DAV: 24 -0.383327182090E+03 -0.18948E-02 -0.94618E-05 318 0.212E-02 0.179E-02
DAV: 25 -0.383328268102E+03 -0.10860E-02 -0.38008E-05 282 0.129E-02 0.702E-03
DAV: 26 -0.383328884587E+03 -0.61649E-03 -0.29792E-05 255 0.116E-02 0.645E-03
DAV: 27 -0.383329055142E+03 -0.17055E-03 -0.47654E-06 237 0.515E-03 0.360E-03
DAV: 28 -0.383329229149E+03 -0.17401E-03 -0.55003E-06 192 0.488E-03 0.189E-03
DAV: 29 -0.383329305569E+03 -0.76420E-04 -0.28747E-06 219 0.337E-03 0.129E-03
DAV: 30 -0.383329337833E+03 -0.32264E-04 -0.11240E-06 219 0.216E-03 0.106E-03
DAV: 31 -0.383329363496E+03 -0.25664E-04 -0.11546E-06 219 0.226E-03 0.817E-04
DAV: 32 -0.383329370261E+03 -0.67650E-05 -0.36287E-07 228 0.123E-03
1 F= -.38332937E+03 E0= -.38334600E+03 d E =0.498964E-01