iterations/neb0_image06_iter31_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 0.144987062640E+04 0.14499E+04 -0.44221E+04 330 0.697E+02
DAV: 2 0.231236004248E+03 -0.12186E+04 -0.11426E+04 417 0.163E+02
DAV: 3 -0.365169430329E+03 -0.59641E+03 -0.59312E+03 354 0.114E+02
DAV: 4 -0.433191344973E+03 -0.68022E+02 -0.67782E+02 309 0.492E+01
DAV: 5 -0.434702552164E+03 -0.15112E+01 -0.15084E+01 327 0.762E+00 0.426E+01
DAV: 6 -0.388908173035E+03 0.45794E+02 -0.14833E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385477949240E+03 0.34302E+01 -0.13164E+01 345 0.776E+00 0.104E+01
DAV: 8 -0.384000372716E+03 0.14776E+01 -0.18070E+00 327 0.378E+00 0.427E+00
DAV: 9 -0.383466327727E+03 0.53404E+00 -0.11637E+00 336 0.212E+00 0.103E+00
DAV: 10 -0.383401581706E+03 0.64746E-01 -0.10142E-01 336 0.895E-01 0.841E-01
DAV: 11 -0.383366822851E+03 0.34759E-01 -0.97013E-02 345 0.750E-01 0.923E-01
DAV: 12 -0.383347641216E+03 0.19182E-01 -0.17878E-01 336 0.543E-01 0.504E-01
DAV: 13 -0.383330827734E+03 0.16813E-01 -0.32693E-02 309 0.435E-01 0.373E-01
DAV: 14 -0.383328503831E+03 0.23239E-02 -0.14928E-02 327 0.376E-01 0.393E-01
DAV: 15 -0.383330192854E+03 -0.16890E-02 -0.13524E-02 327 0.237E-01 0.167E-01
DAV: 16 -0.383336208022E+03 -0.60152E-02 -0.39466E-03 291 0.146E-01 0.198E-01
DAV: 17 -0.383349165681E+03 -0.12958E-01 -0.87693E-03 291 0.215E-01 0.140E-01
DAV: 18 -0.383354499069E+03 -0.53334E-02 -0.28394E-03 336 0.161E-01 0.102E-01
DAV: 19 -0.383358216434E+03 -0.37174E-02 -0.93552E-04 318 0.813E-02 0.860E-02
DAV: 20 -0.383367153453E+03 -0.89370E-02 -0.12766E-03 309 0.839E-02 0.895E-02
DAV: 21 -0.383372255807E+03 -0.51024E-02 -0.43837E-04 327 0.513E-02 0.401E-02
DAV: 22 -0.383375513566E+03 -0.32578E-02 -0.29985E-04 309 0.393E-02 0.312E-02
DAV: 23 -0.383378142275E+03 -0.26287E-02 -0.12380E-04 309 0.262E-02 0.169E-02
DAV: 24 -0.383379995056E+03 -0.18528E-02 -0.80318E-05 291 0.166E-02 0.974E-03
DAV: 25 -0.383380916803E+03 -0.92175E-03 -0.49570E-05 291 0.123E-02 0.778E-03
DAV: 26 -0.383381287123E+03 -0.37032E-03 -0.13760E-05 219 0.740E-03 0.474E-03
DAV: 27 -0.383381512680E+03 -0.22556E-03 -0.89048E-06 219 0.541E-03 0.789E-03
DAV: 28 -0.383381604252E+03 -0.91572E-04 -0.42416E-06 219 0.396E-03 0.380E-03
DAV: 29 -0.383381650550E+03 -0.46298E-04 -0.18109E-06 219 0.297E-03 0.155E-03
DAV: 30 -0.383381713704E+03 -0.63154E-04 -0.26331E-06 201 0.315E-03 0.171E-03
DAV: 31 -0.383381724189E+03 -0.10485E-04 -0.65481E-07 228 0.175E-03 0.158E-03
DAV: 32 -0.383381732962E+03 -0.87734E-05 -0.37154E-07 210 0.123E-03
1 F= -.38338173E+03 E0= -.38339872E+03 d E =0.509737E-01