iterations/neb0_image01_iter25_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 0.144723714267E+04 0.14472E+04 -0.44193E+04 330 0.697E+02
DAV: 2 0.224136905098E+03 -0.12231E+04 -0.11460E+04 435 0.163E+02
DAV: 3 -0.363087021146E+03 -0.58722E+03 -0.58379E+03 345 0.114E+02
DAV: 4 -0.433516471882E+03 -0.70429E+02 -0.70154E+02 318 0.508E+01
DAV: 5 -0.435088744228E+03 -0.15723E+01 -0.15698E+01 318 0.779E+00 0.426E+01
DAV: 6 -0.389102672943E+03 0.45986E+02 -0.14808E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385630230831E+03 0.34724E+01 -0.13554E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384152605990E+03 0.14776E+01 -0.21233E+00 327 0.382E+00 0.433E+00
DAV: 9 -0.383610412968E+03 0.54219E+00 -0.17405E+00 336 0.242E+00 0.137E+00
DAV: 10 -0.383539548170E+03 0.70865E-01 -0.27466E-01 318 0.113E+00 0.104E+00
DAV: 11 -0.383519854044E+03 0.19694E-01 -0.29085E-01 354 0.644E-01 0.994E-01
DAV: 12 -0.383493587735E+03 0.26266E-01 -0.22943E-01 327 0.703E-01 0.927E-01
DAV: 13 -0.383476727931E+03 0.16860E-01 -0.18149E-01 363 0.550E-01 0.671E-01
DAV: 14 -0.383464453777E+03 0.12274E-01 -0.20645E-02 354 0.383E-01 0.317E-01
DAV: 15 -0.383461973603E+03 0.24802E-02 -0.13229E-02 309 0.381E-01 0.189E-01
DAV: 16 -0.383468097009E+03 -0.61234E-02 -0.61149E-03 327 0.247E-01 0.194E-01
DAV: 17 -0.383476030811E+03 -0.79338E-02 -0.29584E-03 309 0.186E-01 0.170E-01
DAV: 18 -0.383482172638E+03 -0.61418E-02 -0.27719E-03 354 0.158E-01 0.120E-01
DAV: 19 -0.383490832363E+03 -0.86597E-02 -0.35863E-03 345 0.140E-01 0.152E-01
DAV: 20 -0.383490495285E+03 0.33708E-03 -0.31829E-03 327 0.810E-02 0.921E-02
DAV: 21 -0.383497585674E+03 -0.70904E-02 -0.63439E-04 300 0.735E-02 0.834E-02
DAV: 22 -0.383502296374E+03 -0.47107E-02 -0.63558E-04 327 0.561E-02 0.474E-02
DAV: 23 -0.383505983407E+03 -0.36870E-02 -0.21544E-04 309 0.386E-02 0.437E-02
DAV: 24 -0.383509760435E+03 -0.37770E-02 -0.21733E-04 309 0.353E-02 0.400E-02
DAV: 25 -0.383511211904E+03 -0.14515E-02 -0.76717E-05 318 0.196E-02 0.271E-02
DAV: 26 -0.383512028099E+03 -0.81619E-03 -0.53124E-05 318 0.163E-02 0.125E-02
DAV: 27 -0.383513090481E+03 -0.10624E-02 -0.60360E-05 318 0.153E-02 0.165E-02
DAV: 28 -0.383513608151E+03 -0.51767E-03 -0.25547E-05 255 0.102E-02 0.107E-02
DAV: 29 -0.383513802848E+03 -0.19470E-03 -0.12468E-05 255 0.810E-03 0.475E-03
DAV: 30 -0.383513920555E+03 -0.11771E-03 -0.51723E-06 210 0.498E-03 0.239E-03
DAV: 31 -0.383514017761E+03 -0.97206E-04 -0.34005E-06 219 0.347E-03 0.216E-03
DAV: 32 -0.383514048575E+03 -0.30815E-04 -0.13738E-06 228 0.240E-03 0.155E-03
DAV: 33 -0.383514077768E+03 -0.29193E-04 -0.12988E-06 210 0.232E-03 0.210E-03
DAV: 34 -0.383514088679E+03 -0.10911E-04 -0.56470E-07 228 0.163E-03 0.150E-03
DAV: 35 -0.383514097742E+03 -0.90622E-05 -0.59574E-07 210 0.154E-03
1 F= -.38351410E+03 E0= -.38353076E+03 d E =0.499910E-01