iterations/neb0_image07_iter19_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 0.150706626819E+04 0.15071E+04 -0.43561E+04 322 0.697E+02
DAV: 2 0.248649840711E+03 -0.12584E+04 -0.11841E+04 428 0.164E+02
DAV: 3 -0.359269604829E+03 -0.60792E+03 -0.60387E+03 356 0.117E+02
DAV: 4 -0.433088316362E+03 -0.73819E+02 -0.73505E+02 316 0.513E+01
DAV: 5 -0.434783749508E+03 -0.16954E+01 -0.16926E+01 340 0.788E+00 0.427E+01
DAV: 6 -0.388810959842E+03 0.45973E+02 -0.14993E+02 316 0.286E+01 0.209E+01
DAV: 7 -0.385301745048E+03 0.35092E+01 -0.12478E+01 332 0.771E+00 0.104E+01
DAV: 8 -0.383889714389E+03 0.14120E+01 -0.27069E+00 332 0.392E+00 0.432E+00
DAV: 9 -0.383323395438E+03 0.56632E+00 -0.63478E-01 332 0.196E+00 0.103E+00
DAV: 10 -0.383274413967E+03 0.48981E-01 -0.24845E-01 332 0.970E-01 0.792E-01
DAV: 11 -0.383250511521E+03 0.23902E-01 -0.38028E-02 316 0.465E-01 0.634E-01
DAV: 12 -0.383245610138E+03 0.49014E-02 -0.16846E-01 380 0.536E-01 0.808E-01
DAV: 13 -0.383228033812E+03 0.17576E-01 -0.11674E-01 308 0.431E-01 0.528E-01
DAV: 14 -0.383225977571E+03 0.20562E-02 -0.73534E-02 364 0.390E-01 0.558E-01
DAV: 15 -0.383228603099E+03 -0.26255E-02 -0.70924E-02 308 0.352E-01 0.425E-01
DAV: 16 -0.383232552453E+03 -0.39494E-02 -0.21583E-02 340 0.217E-01 0.309E-01
DAV: 17 -0.383241368747E+03 -0.88163E-02 -0.74259E-03 284 0.177E-01 0.298E-01
DAV: 18 -0.383253297813E+03 -0.11929E-01 -0.41245E-03 316 0.183E-01 0.155E-01
DAV: 19 -0.383259859875E+03 -0.65621E-02 -0.14848E-03 324 0.991E-02 0.113E-01
DAV: 20 -0.383266686674E+03 -0.68268E-02 -0.11720E-03 324 0.647E-02 0.686E-02
DAV: 21 -0.383272064167E+03 -0.53775E-02 -0.31430E-04 308 0.403E-02 0.276E-02
DAV: 22 -0.383275861756E+03 -0.37976E-02 -0.21636E-04 300 0.284E-02 0.364E-02
DAV: 23 -0.383280133301E+03 -0.42715E-02 -0.27470E-04 300 0.296E-02 0.304E-02
DAV: 24 -0.383281202961E+03 -0.10697E-02 -0.10907E-04 292 0.159E-02 0.862E-03
DAV: 25 -0.383282203890E+03 -0.10009E-02 -0.68534E-05 292 0.143E-02 0.738E-03
DAV: 26 -0.383282469607E+03 -0.26572E-03 -0.73461E-06 228 0.592E-03 0.701E-03
DAV: 27 -0.383282626865E+03 -0.15726E-03 -0.60371E-06 220 0.472E-03 0.673E-03
DAV: 28 -0.383282723804E+03 -0.96939E-04 -0.37581E-06 220 0.399E-03 0.235E-03
DAV: 29 -0.383282765516E+03 -0.41712E-04 -0.19483E-06 220 0.269E-03 0.118E-03
DAV: 30 -0.383282809887E+03 -0.44371E-04 -0.19927E-06 220 0.239E-03 0.168E-03
DAV: 31 -0.383282821298E+03 -0.11410E-04 -0.55186E-07 228 0.146E-03 0.144E-03
DAV: 32 -0.383282829899E+03 -0.86015E-05 -0.51341E-07 220 0.120E-03
1 F= -.38328283E+03 E0= -.38329603E+03 d E =0.395926E-01