iterations/neb0_image02_iter8_OSZICAR.out output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.161789476893E+04 0.16179E+04 -0.42272E+04 306 0.697E+02
DAV: 2 0.296846789716E+03 -0.13210E+04 -0.12437E+04 420 0.168E+02
DAV: 3 -0.357977477300E+03 -0.65482E+03 -0.65110E+03 364 0.123E+02
DAV: 4 -0.433476192914E+03 -0.75499E+02 -0.75185E+02 316 0.520E+01
DAV: 5 -0.435188394598E+03 -0.17122E+01 -0.17095E+01 332 0.798E+00 0.427E+01
DAV: 6 -0.389122123844E+03 0.46066E+02 -0.15035E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385604506959E+03 0.35176E+01 -0.12432E+01 340 0.768E+00 0.104E+01
DAV: 8 -0.384162602055E+03 0.14419E+01 -0.22187E+00 332 0.375E+00 0.427E+00
DAV: 9 -0.383585187690E+03 0.57741E+00 -0.76690E-01 324 0.202E+00 0.102E+00
DAV: 10 -0.383526729901E+03 0.58458E-01 -0.10554E-01 332 0.861E-01 0.764E-01
DAV: 11 -0.383513338966E+03 0.13391E-01 -0.17698E-01 332 0.581E-01 0.101E+00
DAV: 12 -0.383495819374E+03 0.17520E-01 -0.31052E-01 356 0.492E-01 0.501E-01
DAV: 13 -0.383488089815E+03 0.77296E-02 -0.35992E-02 324 0.356E-01 0.501E-01
DAV: 14 -0.383479198492E+03 0.88913E-02 -0.45931E-02 324 0.373E-01 0.291E-01
DAV: 15 -0.383483681520E+03 -0.44830E-02 -0.14305E-02 308 0.273E-01 0.191E-01
DAV: 16 -0.383492618017E+03 -0.89365E-02 -0.28900E-03 300 0.159E-01 0.110E-01
DAV: 17 -0.383509311277E+03 -0.16693E-01 -0.38664E-03 276 0.160E-01 0.875E-02
DAV: 18 -0.383516571038E+03 -0.72598E-02 -0.15426E-03 332 0.985E-02 0.797E-02
DAV: 19 -0.383523493823E+03 -0.69228E-02 -0.35543E-04 308 0.458E-02 0.536E-02
DAV: 20 -0.383533371738E+03 -0.98779E-02 -0.87923E-04 308 0.559E-02 0.267E-02
DAV: 21 -0.383535484977E+03 -0.21132E-02 -0.10788E-04 332 0.232E-02 0.301E-02
DAV: 22 -0.383537987947E+03 -0.25030E-02 -0.15220E-04 316 0.265E-02 0.110E-02
DAV: 23 -0.383539559711E+03 -0.15718E-02 -0.66400E-05 292 0.166E-02 0.929E-03
DAV: 24 -0.383540558730E+03 -0.99902E-03 -0.48535E-05 276 0.139E-02 0.452E-03
DAV: 25 -0.383540953703E+03 -0.39497E-03 -0.12028E-05 228 0.681E-03 0.329E-03
DAV: 26 -0.383541208782E+03 -0.25508E-03 -0.11037E-05 212 0.630E-03 0.295E-03
DAV: 27 -0.383541303637E+03 -0.94855E-04 -0.34820E-06 228 0.367E-03 0.258E-03
DAV: 28 -0.383541360987E+03 -0.57350E-04 -0.25849E-06 196 0.343E-03 0.101E-03
DAV: 29 -0.383541388524E+03 -0.27537E-04 -0.14141E-06 220 0.212E-03 0.741E-04
DAV: 30 -0.383541401428E+03 -0.12904E-04 -0.58637E-07 220 0.165E-03 0.596E-04
DAV: 31 -0.383541411007E+03 -0.95785E-05 -0.44950E-07 212 0.141E-03
1 F= -.38354141E+03 E0= -.38355430E+03 d E =0.386818E-01