iterations/neb0_image05_iter53_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 0.144995699094E+04 0.14500E+04 -0.44225E+04 330 0.697E+02
DAV: 2 0.231392741843E+03 -0.12186E+04 -0.11417E+04 417 0.163E+02
DAV: 3 -0.361811614103E+03 -0.59320E+03 -0.58999E+03 345 0.115E+02
DAV: 4 -0.433290952021E+03 -0.71479E+02 -0.71229E+02 309 0.514E+01
DAV: 5 -0.434942357576E+03 -0.16514E+01 -0.16485E+01 327 0.796E+00 0.427E+01
DAV: 6 -0.388883511214E+03 0.46059E+02 -0.14807E+02 309 0.285E+01 0.209E+01
DAV: 7 -0.385411015875E+03 0.34725E+01 -0.13465E+01 345 0.783E+00 0.104E+01
DAV: 8 -0.383968526031E+03 0.14425E+01 -0.24096E+00 327 0.384E+00 0.437E+00
DAV: 9 -0.383402704095E+03 0.56582E+00 -0.11440E+00 345 0.228E+00 0.127E+00
DAV: 10 -0.383345594497E+03 0.57110E-01 -0.45419E-01 345 0.114E+00 0.971E-01
DAV: 11 -0.383305640794E+03 0.39954E-01 -0.79645E-02 336 0.586E-01 0.767E-01
DAV: 12 -0.383295989713E+03 0.96511E-02 -0.74977E-02 345 0.674E-01 0.120E+00
DAV: 13 -0.383276278590E+03 0.19711E-01 -0.23546E-01 363 0.506E-01 0.726E-01
DAV: 14 -0.383263791562E+03 0.12487E-01 -0.14172E-02 318 0.313E-01 0.385E-01
DAV: 15 -0.383259916713E+03 0.38748E-02 -0.20958E-02 300 0.435E-01 0.398E-01
DAV: 16 -0.383262802573E+03 -0.28859E-02 -0.13354E-02 336 0.274E-01 0.246E-01
DAV: 17 -0.383269169827E+03 -0.63673E-02 -0.32906E-03 282 0.169E-01 0.115E-01
DAV: 18 -0.383280738343E+03 -0.11569E-01 -0.28378E-03 309 0.163E-01 0.125E-01
DAV: 19 -0.383290257889E+03 -0.95195E-02 -0.22577E-03 336 0.128E-01 0.902E-02
DAV: 20 -0.383294931691E+03 -0.46738E-02 -0.82877E-04 318 0.744E-02 0.617E-02
DAV: 21 -0.383301501723E+03 -0.65700E-02 -0.35996E-04 300 0.433E-02 0.313E-02
DAV: 22 -0.383307144243E+03 -0.56425E-02 -0.35636E-04 327 0.377E-02 0.231E-02
DAV: 23 -0.383308780770E+03 -0.16365E-02 -0.56729E-05 318 0.186E-02 0.212E-02
DAV: 24 -0.383310876880E+03 -0.20961E-02 -0.95247E-05 273 0.197E-02 0.139E-02
DAV: 25 -0.383311916077E+03 -0.10392E-02 -0.61948E-05 300 0.147E-02 0.834E-03
DAV: 26 -0.383312261731E+03 -0.34565E-03 -0.11864E-05 246 0.908E-03 0.551E-03
DAV: 27 -0.383312477624E+03 -0.21589E-03 -0.68850E-06 201 0.543E-03 0.356E-03
DAV: 28 -0.383312614985E+03 -0.13736E-03 -0.42950E-06 219 0.507E-03 0.326E-03
DAV: 29 -0.383312713732E+03 -0.98748E-04 -0.35080E-06 201 0.409E-03 0.141E-03
DAV: 30 -0.383312760239E+03 -0.46507E-04 -0.18892E-06 219 0.267E-03 0.145E-03
DAV: 31 -0.383312788515E+03 -0.28275E-04 -0.14289E-06 210 0.261E-03 0.132E-03
DAV: 32 -0.383312797349E+03 -0.88348E-05 -0.54245E-07 228 0.186E-03
1 F= -.38331280E+03 E0= -.38332943E+03 d E =0.498909E-01