iterations/neb0_image07_iter9_OSZICAR.out output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.150868950868E+04 0.15087E+04 -0.43572E+04 322 0.697E+02
DAV: 2 0.249687862182E+03 -0.12590E+04 -0.11841E+04 428 0.164E+02
DAV: 3 -0.356078571942E+03 -0.60577E+03 -0.60182E+03 348 0.117E+02
DAV: 4 -0.433079938617E+03 -0.77001E+02 -0.76681E+02 316 0.531E+01
DAV: 5 -0.434886108162E+03 -0.18062E+01 -0.18031E+01 332 0.816E+00 0.427E+01
DAV: 6 -0.388772047504E+03 0.46114E+02 -0.14912E+02 324 0.285E+01 0.209E+01
DAV: 7 -0.385255986749E+03 0.35161E+01 -0.13067E+01 340 0.779E+00 0.104E+01
DAV: 8 -0.383821077701E+03 0.14349E+01 -0.22374E+00 324 0.391E+00 0.426E+00
DAV: 9 -0.383263535201E+03 0.55754E+00 -0.62140E-01 332 0.193E+00 0.974E-01
DAV: 10 -0.383206952850E+03 0.56582E-01 -0.15499E-01 348 0.969E-01 0.755E-01
DAV: 11 -0.383190147589E+03 0.16805E-01 -0.55843E-02 348 0.485E-01 0.568E-01
DAV: 12 -0.383174221561E+03 0.15926E-01 -0.28743E-02 308 0.359E-01 0.344E-01
DAV: 13 -0.383168105457E+03 0.61161E-02 -0.20421E-02 308 0.334E-01 0.261E-01
DAV: 14 -0.383169169750E+03 -0.10643E-02 -0.27106E-02 300 0.358E-01 0.379E-01
DAV: 15 -0.383170569440E+03 -0.13997E-02 -0.61586E-03 332 0.192E-01 0.170E-01
DAV: 16 -0.383179810107E+03 -0.92407E-02 -0.37625E-03 284 0.142E-01 0.134E-01
DAV: 17 -0.383191412251E+03 -0.11602E-01 -0.49332E-03 332 0.217E-01 0.910E-02
DAV: 18 -0.383199895462E+03 -0.84832E-02 -0.62638E-03 332 0.190E-01 0.176E-01
DAV: 19 -0.383199624357E+03 0.27110E-03 -0.30064E-03 316 0.858E-02 0.797E-02
DAV: 20 -0.383203609818E+03 -0.39855E-02 -0.60015E-04 308 0.489E-02 0.411E-02
DAV: 21 -0.383211171221E+03 -0.75614E-02 -0.51878E-04 324 0.601E-02 0.297E-02
DAV: 22 -0.383217621171E+03 -0.64499E-02 -0.63173E-04 308 0.641E-02 0.526E-02
DAV: 23 -0.383219698080E+03 -0.20769E-02 -0.19562E-04 316 0.335E-02 0.412E-02
DAV: 24 -0.383220744769E+03 -0.10467E-02 -0.72283E-05 276 0.194E-02 0.173E-02
DAV: 25 -0.383221883673E+03 -0.11389E-02 -0.12872E-04 308 0.221E-02 0.152E-02
DAV: 26 -0.383222386262E+03 -0.50259E-03 -0.28717E-05 260 0.129E-02 0.447E-03
DAV: 27 -0.383222617846E+03 -0.23158E-03 -0.14922E-05 228 0.765E-03 0.533E-03
DAV: 28 -0.383222720062E+03 -0.10222E-03 -0.40984E-06 228 0.565E-03 0.233E-03
DAV: 29 -0.383222847304E+03 -0.12724E-03 -0.87021E-06 196 0.732E-03 0.407E-03
DAV: 30 -0.383222852603E+03 -0.52988E-05 -0.16036E-06 244 0.349E-03
1 F= -.38322285E+03 E0= -.38324018E+03 d E =0.519742E-01