iterations/neb0_image04_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 0.144914991970E+04 0.14491E+04 -0.44208E+04 330 0.697E+02
DAV: 2 0.228034230661E+03 -0.12211E+04 -0.11451E+04 426 0.163E+02
DAV: 3 -0.365037969810E+03 -0.59307E+03 -0.58975E+03 354 0.114E+02
DAV: 4 -0.433451187472E+03 -0.68413E+02 -0.68185E+02 300 0.495E+01
DAV: 5 -0.434983643610E+03 -0.15325E+01 -0.15297E+01 327 0.762E+00 0.427E+01
DAV: 6 -0.389038571974E+03 0.45945E+02 -0.14859E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385573073632E+03 0.34655E+01 -0.13238E+01 345 0.775E+00 0.104E+01
DAV: 8 -0.384083207175E+03 0.14899E+01 -0.18018E+00 336 0.377E+00 0.426E+00
DAV: 9 -0.383547693821E+03 0.53551E+00 -0.10443E+00 336 0.205E+00 0.100E+00
DAV: 10 -0.383486294667E+03 0.61399E-01 -0.99494E-02 327 0.864E-01 0.836E-01
DAV: 11 -0.383456872543E+03 0.29422E-01 -0.13930E-01 345 0.667E-01 0.771E-01
DAV: 12 -0.383438712920E+03 0.18160E-01 -0.95422E-02 336 0.498E-01 0.850E-01
DAV: 13 -0.383427380652E+03 0.11332E-01 -0.16509E-01 363 0.424E-01 0.473E-01
DAV: 14 -0.383418506350E+03 0.88743E-02 -0.23685E-02 318 0.400E-01 0.500E-01
DAV: 15 -0.383417829847E+03 0.67650E-03 -0.35755E-02 318 0.344E-01 0.262E-01
DAV: 16 -0.383422932896E+03 -0.51030E-02 -0.68969E-03 327 0.276E-01 0.165E-01
DAV: 17 -0.383436458897E+03 -0.13526E-01 -0.96972E-03 354 0.257E-01 0.446E-01
DAV: 18 -0.383433963295E+03 0.24956E-02 -0.25239E-03 336 0.125E-01 0.246E-01
DAV: 19 -0.383440386057E+03 -0.64228E-02 -0.29657E-03 291 0.108E-01 0.221E-01
DAV: 20 -0.383448769653E+03 -0.83836E-02 -0.16713E-03 300 0.104E-01 0.218E-01
DAV: 21 -0.383452888698E+03 -0.41190E-02 -0.82796E-04 372 0.801E-02 0.609E-02
DAV: 22 -0.383459368922E+03 -0.64802E-02 -0.58841E-04 300 0.575E-02 0.713E-02
DAV: 23 -0.383463847168E+03 -0.44782E-02 -0.29868E-04 309 0.436E-02 0.314E-02
DAV: 24 -0.383465830398E+03 -0.19832E-02 -0.13512E-04 318 0.280E-02 0.349E-02
DAV: 25 -0.383466631573E+03 -0.80118E-03 -0.26264E-05 291 0.135E-02 0.271E-02
DAV: 26 -0.383468198315E+03 -0.15667E-02 -0.10408E-04 282 0.172E-02 0.151E-02
DAV: 27 -0.383468513767E+03 -0.31545E-03 -0.12056E-05 246 0.990E-03 0.111E-02
DAV: 28 -0.383468919398E+03 -0.40563E-03 -0.18064E-05 237 0.801E-03 0.721E-03
DAV: 29 -0.383469136746E+03 -0.21735E-03 -0.99416E-06 228 0.691E-03 0.547E-03
DAV: 30 -0.383469207235E+03 -0.70490E-04 -0.32263E-06 237 0.405E-03 0.375E-03
DAV: 31 -0.383469254770E+03 -0.47535E-04 -0.21322E-06 201 0.381E-03 0.230E-03
DAV: 32 -0.383469288198E+03 -0.33428E-04 -0.12603E-06 228 0.254E-03 0.102E-03
DAV: 33 -0.383469314135E+03 -0.25936E-04 -0.95619E-07 210 0.195E-03 0.119E-03
DAV: 34 -0.383469323586E+03 -0.94513E-05 -0.42221E-07 228 0.129E-03
1 F= -.38346932E+03 E0= -.38348611E+03 d E =0.503705E-01