iterations/neb0_image01_iter25_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 0.161670828540E+04 0.16167E+04 -0.42275E+04 306 0.697E+02
DAV: 2 0.296177884873E+03 -0.13205E+04 -0.12433E+04 420 0.168E+02
DAV: 3 -0.358068206092E+03 -0.65425E+03 -0.65069E+03 364 0.123E+02
DAV: 4 -0.433518864302E+03 -0.75451E+02 -0.75147E+02 308 0.519E+01
DAV: 5 -0.435230307247E+03 -0.17114E+01 -0.17086E+01 332 0.797E+00 0.427E+01
DAV: 6 -0.389147240433E+03 0.46083E+02 -0.15047E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385621332422E+03 0.35259E+01 -0.12435E+01 340 0.768E+00 0.104E+01
DAV: 8 -0.384176042136E+03 0.14453E+01 -0.27440E+00 332 0.387E+00 0.434E+00
DAV: 9 -0.383612356861E+03 0.56369E+00 -0.92139E-01 324 0.206E+00 0.115E+00
DAV: 10 -0.383541462939E+03 0.70894E-01 -0.26173E-01 340 0.101E+00 0.895E-01
DAV: 11 -0.383514084827E+03 0.27378E-01 -0.46609E-02 308 0.526E-01 0.619E-01
DAV: 12 -0.383498357224E+03 0.15728E-01 -0.12289E-01 324 0.503E-01 0.525E-01
DAV: 13 -0.383487439211E+03 0.10918E-01 -0.25317E-02 308 0.351E-01 0.445E-01
DAV: 14 -0.383487535908E+03 -0.96698E-04 -0.72574E-02 332 0.370E-01 0.498E-01
DAV: 15 -0.383491740711E+03 -0.42048E-02 -0.48133E-02 332 0.291E-01 0.429E-01
DAV: 16 -0.383496601320E+03 -0.48606E-02 -0.22852E-02 308 0.200E-01 0.226E-01
DAV: 17 -0.383504201627E+03 -0.76003E-02 -0.21836E-03 276 0.128E-01 0.110E-01
DAV: 18 -0.383513388283E+03 -0.91867E-02 -0.20280E-03 292 0.109E-01 0.961E-02
DAV: 19 -0.383521979934E+03 -0.85917E-02 -0.12831E-03 308 0.927E-02 0.758E-02
DAV: 20 -0.383530936766E+03 -0.89568E-02 -0.12446E-03 308 0.747E-02 0.864E-02
DAV: 21 -0.383536462845E+03 -0.55261E-02 -0.60259E-04 324 0.516E-02 0.522E-02
DAV: 22 -0.383537812703E+03 -0.13499E-02 -0.13107E-04 332 0.296E-02 0.409E-02
DAV: 23 -0.383540746324E+03 -0.29336E-02 -0.16089E-04 308 0.251E-02 0.273E-02
DAV: 24 -0.383542597461E+03 -0.18511E-02 -0.77313E-05 300 0.163E-02 0.137E-02
DAV: 25 -0.383544110712E+03 -0.15133E-02 -0.91116E-05 300 0.176E-02 0.979E-03
DAV: 26 -0.383544786047E+03 -0.67534E-03 -0.41687E-05 276 0.115E-02 0.625E-03
DAV: 27 -0.383545111240E+03 -0.32519E-03 -0.10798E-05 220 0.667E-03 0.404E-03
DAV: 28 -0.383545284203E+03 -0.17296E-03 -0.96199E-06 236 0.630E-03 0.430E-03
DAV: 29 -0.383545363694E+03 -0.79491E-04 -0.29138E-06 220 0.437E-03 0.444E-03
DAV: 30 -0.383545386403E+03 -0.22709E-04 -0.17058E-06 228 0.291E-03 0.160E-03
DAV: 31 -0.383545417043E+03 -0.30639E-04 -0.86595E-07 204 0.223E-03 0.810E-04
DAV: 32 -0.383545441479E+03 -0.24437E-04 -0.11170E-06 220 0.230E-03 0.137E-03
DAV: 33 -0.383545450690E+03 -0.92114E-05 -0.33728E-07 220 0.140E-03
1 F= -.38354545E+03 E0= -.38356264E+03 d E =0.515779E-01