iterations/neb0_image02_iter50_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 0.144842779700E+04 0.14484E+04 -0.44194E+04 330 0.697E+02
DAV: 2 0.224381213481E+03 -0.12240E+04 -0.11471E+04 435 0.163E+02
DAV: 3 -0.362978824115E+03 -0.58736E+03 -0.58421E+03 345 0.114E+02
DAV: 4 -0.433494035432E+03 -0.70515E+02 -0.70286E+02 309 0.508E+01
DAV: 5 -0.435075900423E+03 -0.15819E+01 -0.15792E+01 318 0.781E+00 0.426E+01
DAV: 6 -0.389055893125E+03 0.46020E+02 -0.14820E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385593517015E+03 0.34624E+01 -0.13672E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384114084144E+03 0.14794E+01 -0.21181E+00 327 0.388E+00 0.434E+00
DAV: 9 -0.383579705344E+03 0.53438E+00 -0.16260E+00 345 0.240E+00 0.142E+00
DAV: 10 -0.383513702378E+03 0.66003E-01 -0.40194E-01 318 0.117E+00 0.109E+00
DAV: 11 -0.383481246087E+03 0.32456E-01 -0.24004E-01 327 0.686E-01 0.106E+00
DAV: 12 -0.383470175514E+03 0.11071E-01 -0.33581E-01 354 0.764E-01 0.101E+00
DAV: 13 -0.383446887258E+03 0.23288E-01 -0.16123E-01 363 0.547E-01 0.791E-01
DAV: 14 -0.383431001318E+03 0.15886E-01 -0.37804E-02 336 0.369E-01 0.381E-01
DAV: 15 -0.383429374880E+03 0.16264E-02 -0.47980E-02 318 0.442E-01 0.568E-01
DAV: 16 -0.383427502465E+03 0.18724E-02 -0.85274E-03 336 0.221E-01 0.326E-01
DAV: 17 -0.383431370988E+03 -0.38685E-02 -0.51797E-03 291 0.193E-01 0.215E-01
DAV: 18 -0.383439429275E+03 -0.80583E-02 -0.30047E-03 309 0.179E-01 0.126E-01
DAV: 19 -0.383450525222E+03 -0.11096E-01 -0.24898E-03 318 0.157E-01 0.104E-01
DAV: 20 -0.383462314085E+03 -0.11789E-01 -0.16896E-03 309 0.134E-01 0.426E-02
DAV: 21 -0.383467528102E+03 -0.52140E-02 -0.60276E-04 318 0.641E-02 0.629E-02
DAV: 22 -0.383470468448E+03 -0.29403E-02 -0.11529E-04 327 0.267E-02 0.459E-02
DAV: 23 -0.383475401255E+03 -0.49328E-02 -0.28518E-04 300 0.339E-02 0.192E-02
DAV: 24 -0.383478112202E+03 -0.27109E-02 -0.16009E-04 309 0.250E-02 0.200E-02
DAV: 25 -0.383478890489E+03 -0.77829E-03 -0.34584E-05 291 0.141E-02 0.252E-02
DAV: 26 -0.383479373395E+03 -0.48291E-03 -0.19564E-05 219 0.111E-02 0.162E-02
DAV: 27 -0.383479935685E+03 -0.56229E-03 -0.27074E-05 255 0.997E-03 0.491E-03
DAV: 28 -0.383480180016E+03 -0.24433E-03 -0.68649E-06 219 0.652E-03 0.301E-03
DAV: 29 -0.383480315528E+03 -0.13551E-03 -0.45812E-06 228 0.394E-03 0.383E-03
DAV: 30 -0.383480382022E+03 -0.66494E-04 -0.24669E-06 210 0.363E-03 0.188E-03
DAV: 31 -0.383480430741E+03 -0.48719E-04 -0.18424E-06 201 0.291E-03 0.196E-03
DAV: 32 -0.383480440490E+03 -0.97492E-05 -0.75601E-07 228 0.202E-03
1 F= -.38348044E+03 E0= -.38349704E+03 d E =0.497848E-01