iterations/neb0_image04_iter58_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 0.144871942534E+04 0.14487E+04 -0.44210E+04 330 0.697E+02
DAV: 2 0.227266146853E+03 -0.12215E+04 -0.11448E+04 426 0.163E+02
DAV: 3 -0.365331375362E+03 -0.59260E+03 -0.58928E+03 354 0.114E+02
DAV: 4 -0.433457930112E+03 -0.68127E+02 -0.67882E+02 309 0.494E+01
DAV: 5 -0.434977032530E+03 -0.15191E+01 -0.15165E+01 336 0.760E+00 0.427E+01
DAV: 6 -0.389013335674E+03 0.45964E+02 -0.14882E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385545233216E+03 0.34681E+01 -0.13242E+01 345 0.776E+00 0.104E+01
DAV: 8 -0.384060892795E+03 0.14843E+01 -0.18034E+00 327 0.377E+00 0.426E+00
DAV: 9 -0.383518628932E+03 0.54226E+00 -0.10055E+00 336 0.204E+00 0.101E+00
DAV: 10 -0.383456986464E+03 0.61642E-01 -0.12667E-01 327 0.879E-01 0.977E-01
DAV: 11 -0.383436096394E+03 0.20890E-01 -0.11978E-01 354 0.561E-01 0.691E-01
DAV: 12 -0.383410748191E+03 0.25348E-01 -0.31798E-02 318 0.403E-01 0.748E-01
DAV: 13 -0.383403880406E+03 0.68678E-02 -0.19823E-01 363 0.511E-01 0.760E-01
DAV: 14 -0.383387716790E+03 0.16164E-01 -0.61994E-02 309 0.496E-01 0.615E-01
DAV: 15 -0.383386152102E+03 0.15647E-02 -0.13685E-02 327 0.246E-01 0.387E-01
DAV: 16 -0.383390504494E+03 -0.43524E-02 -0.20853E-02 291 0.228E-01 0.259E-01
DAV: 17 -0.383399700922E+03 -0.91964E-02 -0.48667E-03 309 0.219E-01 0.137E-01
DAV: 18 -0.383406521964E+03 -0.68210E-02 -0.22424E-03 327 0.140E-01 0.105E-01
DAV: 19 -0.383416150294E+03 -0.96283E-02 -0.11812E-03 300 0.110E-01 0.887E-02
DAV: 20 -0.383425832999E+03 -0.96827E-02 -0.12924E-03 318 0.108E-01 0.639E-02
DAV: 21 -0.383431876513E+03 -0.60435E-02 -0.57157E-04 327 0.594E-02 0.383E-02
DAV: 22 -0.383434734264E+03 -0.28578E-02 -0.12741E-04 354 0.273E-02 0.303E-02
DAV: 23 -0.383438250045E+03 -0.35158E-02 -0.17983E-04 309 0.284E-02 0.210E-02
DAV: 24 -0.383440294240E+03 -0.20442E-02 -0.88320E-05 309 0.191E-02 0.101E-02
DAV: 25 -0.383441314298E+03 -0.10201E-02 -0.48402E-05 300 0.150E-02 0.839E-03
DAV: 26 -0.383441828810E+03 -0.51451E-03 -0.14163E-05 237 0.100E-02 0.580E-03
DAV: 27 -0.383442191008E+03 -0.36220E-03 -0.18026E-05 228 0.979E-03 0.742E-03
DAV: 28 -0.383442307588E+03 -0.11658E-03 -0.45833E-06 228 0.583E-03 0.280E-03
DAV: 29 -0.383442383134E+03 -0.75545E-04 -0.68040E-06 219 0.713E-03 0.357E-03
DAV: 30 -0.383442432881E+03 -0.49748E-04 -0.17297E-06 210 0.374E-03 0.302E-03
DAV: 31 -0.383442474783E+03 -0.41901E-04 -0.27669E-06 210 0.437E-03 0.161E-03
DAV: 32 -0.383442492668E+03 -0.17886E-04 -0.78374E-07 228 0.230E-03 0.639E-04
DAV: 33 -0.383442502296E+03 -0.96276E-05 -0.47570E-07 210 0.137E-03
1 F= -.38344250E+03 E0= -.38345933E+03 d E =0.504684E-01