iterations/neb0_image01_iter26_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 0.161670023804E+04 0.16167E+04 -0.42275E+04 306 0.697E+02
DAV: 2 0.296189637920E+03 -0.13205E+04 -0.12433E+04 420 0.168E+02
DAV: 3 -0.358061146105E+03 -0.65425E+03 -0.65069E+03 364 0.123E+02
DAV: 4 -0.433518013839E+03 -0.75457E+02 -0.75154E+02 308 0.519E+01
DAV: 5 -0.435229680393E+03 -0.17117E+01 -0.17088E+01 332 0.797E+00 0.427E+01
DAV: 6 -0.389147474583E+03 0.46082E+02 -0.15047E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385620618406E+03 0.35269E+01 -0.12412E+01 340 0.768E+00 0.104E+01
DAV: 8 -0.384172289165E+03 0.14483E+01 -0.26554E+00 332 0.385E+00 0.434E+00
DAV: 9 -0.383616848704E+03 0.55544E+00 -0.10459E+00 324 0.207E+00 0.111E+00
DAV: 10 -0.383535702187E+03 0.81147E-01 -0.14081E-01 340 0.975E-01 0.761E-01
DAV: 11 -0.383510876253E+03 0.24826E-01 -0.36717E-02 332 0.502E-01 0.567E-01
DAV: 12 -0.383510024326E+03 0.85193E-03 -0.18998E-01 356 0.472E-01 0.102E+00
DAV: 13 -0.383486405714E+03 0.23619E-01 -0.23853E-01 340 0.471E-01 0.453E-01
DAV: 14 -0.383489778177E+03 -0.33725E-02 -0.25811E-02 324 0.292E-01 0.474E-01
DAV: 15 -0.383490771221E+03 -0.99304E-03 -0.43881E-02 316 0.281E-01 0.412E-01
DAV: 16 -0.383495710337E+03 -0.49391E-02 -0.19332E-02 308 0.221E-01 0.134E-01
DAV: 17 -0.383505995879E+03 -0.10286E-01 -0.36091E-03 308 0.166E-01 0.221E-01
DAV: 18 -0.383514077976E+03 -0.80821E-02 -0.20466E-03 292 0.117E-01 0.999E-02
DAV: 19 -0.383524429005E+03 -0.10351E-01 -0.26006E-03 324 0.125E-01 0.117E-01
DAV: 20 -0.383527217679E+03 -0.27887E-02 -0.62178E-04 324 0.586E-02 0.643E-02
DAV: 21 -0.383532539156E+03 -0.53215E-02 -0.38036E-04 292 0.392E-02 0.377E-02
DAV: 22 -0.383539424188E+03 -0.68850E-02 -0.43725E-04 308 0.423E-02 0.608E-02
DAV: 23 -0.383541805594E+03 -0.23814E-02 -0.12258E-04 324 0.281E-02 0.312E-02
DAV: 24 -0.383543387366E+03 -0.15818E-02 -0.11620E-04 308 0.235E-02 0.192E-02
DAV: 25 -0.383544437298E+03 -0.10499E-02 -0.38856E-05 308 0.151E-02 0.130E-02
DAV: 26 -0.383545402105E+03 -0.96481E-03 -0.43276E-05 276 0.112E-02 0.812E-03
DAV: 27 -0.383545714864E+03 -0.31276E-03 -0.14326E-05 236 0.662E-03 0.347E-03
DAV: 28 -0.383545879496E+03 -0.16463E-03 -0.53730E-06 220 0.440E-03 0.337E-03
DAV: 29 -0.383545959736E+03 -0.80240E-04 -0.29088E-06 228 0.393E-03 0.175E-03
DAV: 30 -0.383546007369E+03 -0.47633E-04 -0.21496E-06 212 0.328E-03 0.249E-03
DAV: 31 -0.383546032627E+03 -0.25258E-04 -0.93143E-07 228 0.206E-03 0.121E-03
DAV: 32 -0.383546047748E+03 -0.15121E-04 -0.10490E-06 212 0.238E-03 0.127E-03
DAV: 33 -0.383546055552E+03 -0.78038E-05 -0.35038E-07 220 0.165E-03
1 F= -.38354606E+03 E0= -.38356328E+03 d E =0.516599E-01