iterations/neb0_image05_iter49_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 0.144976357533E+04 0.14498E+04 -0.44221E+04 330 0.697E+02
DAV: 2 0.231131413120E+03 -0.12186E+04 -0.11419E+04 417 0.163E+02
DAV: 3 -0.361756851925E+03 -0.59289E+03 -0.58967E+03 345 0.115E+02
DAV: 4 -0.433209851023E+03 -0.71453E+02 -0.71202E+02 309 0.514E+01
DAV: 5 -0.434862848943E+03 -0.16530E+01 -0.16500E+01 336 0.797E+00 0.427E+01
DAV: 6 -0.388816386433E+03 0.46046E+02 -0.14812E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385359892216E+03 0.34565E+01 -0.13366E+01 345 0.781E+00 0.104E+01
DAV: 8 -0.383898994019E+03 0.14609E+01 -0.19537E+00 327 0.380E+00 0.435E+00
DAV: 9 -0.383360292686E+03 0.53870E+00 -0.96311E-01 336 0.217E+00 0.108E+00
DAV: 10 -0.383284261650E+03 0.76031E-01 -0.11857E-01 336 0.934E-01 0.108E+00
DAV: 11 -0.383259639585E+03 0.24622E-01 -0.18051E-01 372 0.703E-01 0.900E-01
DAV: 12 -0.383230824659E+03 0.28815E-01 -0.30557E-02 318 0.441E-01 0.617E-01
DAV: 13 -0.383219758583E+03 0.11066E-01 -0.26830E-02 363 0.369E-01 0.537E-01
DAV: 14 -0.383206851326E+03 0.12907E-01 -0.17411E-02 309 0.397E-01 0.299E-01
DAV: 15 -0.383212558096E+03 -0.57068E-02 -0.25337E-02 336 0.321E-01 0.376E-01
DAV: 16 -0.383213265001E+03 -0.70691E-03 -0.42689E-03 291 0.187E-01 0.127E-01
DAV: 17 -0.383224398979E+03 -0.11134E-01 -0.50719E-03 300 0.189E-01 0.128E-01
DAV: 18 -0.383233522601E+03 -0.91236E-02 -0.29245E-03 309 0.161E-01 0.102E-01
DAV: 19 -0.383241416832E+03 -0.78942E-02 -0.15683E-03 318 0.118E-01 0.739E-02
DAV: 20 -0.383248148098E+03 -0.67313E-02 -0.13221E-03 336 0.807E-02 0.962E-02
DAV: 21 -0.383253691400E+03 -0.55433E-02 -0.31539E-04 300 0.423E-02 0.667E-02
DAV: 22 -0.383258621875E+03 -0.49305E-02 -0.45818E-04 309 0.410E-02 0.199E-02
DAV: 23 -0.383260249877E+03 -0.16280E-02 -0.11493E-04 336 0.236E-02 0.301E-02
DAV: 24 -0.383261558329E+03 -0.13085E-02 -0.72921E-05 282 0.151E-02 0.796E-03
DAV: 25 -0.383262709418E+03 -0.11511E-02 -0.59178E-05 309 0.145E-02 0.596E-03
DAV: 26 -0.383263156506E+03 -0.44709E-03 -0.12974E-05 228 0.724E-03 0.636E-03
DAV: 27 -0.383263424560E+03 -0.26805E-03 -0.13193E-05 228 0.722E-03 0.523E-03
DAV: 28 -0.383263483103E+03 -0.58543E-04 -0.27362E-06 237 0.422E-03 0.270E-03
DAV: 29 -0.383263564270E+03 -0.81167E-04 -0.26967E-06 192 0.392E-03 0.333E-03
DAV: 30 -0.383263612961E+03 -0.48692E-04 -0.18513E-06 219 0.332E-03 0.218E-03
DAV: 31 -0.383263639703E+03 -0.26742E-04 -0.75660E-07 219 0.201E-03 0.132E-03
DAV: 32 -0.383263658648E+03 -0.18945E-04 -0.10451E-06 210 0.250E-03 0.130E-03
DAV: 33 -0.383263662453E+03 -0.38050E-05 -0.28835E-07 237 0.174E-03
1 F= -.38326366E+03 E0= -.38328048E+03 d E =0.504385E-01