iterations/neb0_image07_iter48_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 0.143713825797E+04 0.14371E+04 -0.44166E+04 330 0.697E+02
DAV: 2 0.235073733622E+03 -0.12021E+04 -0.11272E+04 408 0.162E+02
DAV: 3 -0.363448728851E+03 -0.59852E+03 -0.59466E+03 372 0.115E+02
DAV: 4 -0.429771989174E+03 -0.66323E+02 -0.66072E+02 300 0.471E+01
DAV: 5 -0.431233068020E+03 -0.14611E+01 -0.14581E+01 336 0.734E+00 0.421E+01
DAV: 6 -0.386479665501E+03 0.44753E+02 -0.14825E+02 309 0.286E+01 0.206E+01
DAV: 7 -0.383221763659E+03 0.32579E+01 -0.13232E+01 336 0.782E+00 0.103E+01
DAV: 8 -0.381773606295E+03 0.14482E+01 -0.20711E+00 327 0.393E+00 0.441E+00
DAV: 9 -0.381218347987E+03 0.55526E+00 -0.11765E+00 318 0.225E+00 0.123E+00
DAV: 10 -0.381154926002E+03 0.63422E-01 -0.23439E-01 336 0.113E+00 0.890E-01
DAV: 11 -0.381125249980E+03 0.29676E-01 -0.53802E-02 327 0.596E-01 0.664E-01
DAV: 12 -0.381116327133E+03 0.89228E-02 -0.20024E-01 381 0.573E-01 0.876E-01
DAV: 13 -0.381092494370E+03 0.23833E-01 -0.17560E-02 363 0.381E-01 0.427E-01
DAV: 14 -0.381087468659E+03 0.50257E-02 -0.23296E-02 354 0.411E-01 0.347E-01
DAV: 15 -0.381085655007E+03 0.18137E-02 -0.13133E-02 336 0.335E-01 0.294E-01
DAV: 16 -0.381088566387E+03 -0.29114E-02 -0.98187E-03 318 0.255E-01 0.237E-01
DAV: 17 -0.381096002072E+03 -0.74357E-02 -0.39584E-03 318 0.181E-01 0.172E-01
DAV: 18 -0.381105651468E+03 -0.96494E-02 -0.42577E-03 309 0.199E-01 0.147E-01
DAV: 19 -0.381112453583E+03 -0.68021E-02 -0.24874E-03 327 0.144E-01 0.835E-02
DAV: 20 -0.381120956076E+03 -0.85025E-02 -0.11022E-03 354 0.961E-02 0.746E-02
DAV: 21 -0.381125810336E+03 -0.48543E-02 -0.28178E-04 318 0.431E-02 0.339E-02
DAV: 22 -0.381131367975E+03 -0.55576E-02 -0.35033E-04 300 0.343E-02 0.272E-02
DAV: 23 -0.381133367029E+03 -0.19991E-02 -0.88474E-05 336 0.191E-02 0.131E-02
DAV: 24 -0.381134997499E+03 -0.16305E-02 -0.68823E-05 282 0.163E-02 0.957E-03
DAV: 25 -0.381135767533E+03 -0.77003E-03 -0.29038E-05 273 0.108E-02 0.114E-02
DAV: 26 -0.381136233834E+03 -0.46630E-03 -0.17530E-05 237 0.919E-03 0.409E-03
DAV: 27 -0.381136461740E+03 -0.22791E-03 -0.87237E-06 228 0.605E-03 0.368E-03
DAV: 28 -0.381136545456E+03 -0.83716E-04 -0.27584E-06 228 0.353E-03 0.242E-03
DAV: 29 -0.381136621228E+03 -0.75772E-04 -0.32722E-06 210 0.414E-03 0.183E-03
DAV: 30 -0.381136645283E+03 -0.24055E-04 -0.11703E-06 228 0.237E-03 0.142E-03
DAV: 31 -0.381136663019E+03 -0.17735E-04 -0.97507E-07 210 0.243E-03 0.142E-03
DAV: 32 -0.381136673854E+03 -0.10835E-04 -0.45011E-07 219 0.181E-03 0.626E-04
DAV: 33 -0.381136680736E+03 -0.68819E-05 -0.38094E-07 219 0.124E-03
1 F= -.38113668E+03 E0= -.38115420E+03 d E =0.525603E-01