iterations/neb0_image03_iter27_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 0.161850788584E+04 0.16185E+04 -0.42276E+04 306 0.697E+02
DAV: 2 0.297636146267E+03 -0.13209E+04 -0.12436E+04 420 0.168E+02
DAV: 3 -0.362736483115E+03 -0.66037E+03 -0.65724E+03 372 0.123E+02
DAV: 4 -0.433651687800E+03 -0.70915E+02 -0.70658E+02 316 0.506E+01
DAV: 5 -0.435160772167E+03 -0.15091E+01 -0.15069E+01 324 0.768E+00 0.427E+01
DAV: 6 -0.389102853225E+03 0.46058E+02 -0.15075E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385597985305E+03 0.35049E+01 -0.12400E+01 340 0.768E+00 0.104E+01
DAV: 8 -0.384159882957E+03 0.14381E+01 -0.27259E+00 340 0.389E+00 0.434E+00
DAV: 9 -0.383605107804E+03 0.55478E+00 -0.92959E-01 324 0.204E+00 0.112E+00
DAV: 10 -0.383531415717E+03 0.73692E-01 -0.20842E-01 332 0.101E+00 0.868E-01
DAV: 11 -0.383509798709E+03 0.21617E-01 -0.78366E-02 316 0.501E-01 0.699E-01
DAV: 12 -0.383495485524E+03 0.14313E-01 -0.23459E-01 316 0.526E-01 0.479E-01
DAV: 13 -0.383487684654E+03 0.78009E-02 -0.32349E-02 324 0.374E-01 0.458E-01
DAV: 14 -0.383486955492E+03 0.72916E-03 -0.56781E-02 348 0.367E-01 0.430E-01
DAV: 15 -0.383490166718E+03 -0.32112E-02 -0.25000E-02 332 0.332E-01 0.251E-01
DAV: 16 -0.383494067190E+03 -0.39005E-02 -0.36969E-03 340 0.178E-01 0.243E-01
DAV: 17 -0.383497351074E+03 -0.32839E-02 -0.26575E-03 324 0.122E-01 0.136E-01
DAV: 18 -0.383507860700E+03 -0.10510E-01 -0.16369E-03 292 0.136E-01 0.203E-01
DAV: 19 -0.383516130198E+03 -0.82695E-02 -0.26605E-03 308 0.128E-01 0.932E-02
DAV: 20 -0.383524193749E+03 -0.80636E-02 -0.17234E-03 316 0.113E-01 0.279E-01
DAV: 21 -0.383526894341E+03 -0.27006E-02 -0.59275E-04 316 0.805E-02 0.370E-02
DAV: 22 -0.383532362984E+03 -0.54686E-02 -0.44844E-04 300 0.450E-02 0.654E-02
DAV: 23 -0.383535121738E+03 -0.27588E-02 -0.11634E-04 308 0.272E-02 0.353E-02
DAV: 24 -0.383537580873E+03 -0.24591E-02 -0.12549E-04 308 0.233E-02 0.110E-02
DAV: 25 -0.383538713571E+03 -0.11327E-02 -0.46247E-05 284 0.145E-02 0.231E-02
DAV: 26 -0.383539412719E+03 -0.69915E-03 -0.28642E-05 260 0.127E-02 0.592E-03
DAV: 27 -0.383539780200E+03 -0.36748E-03 -0.22631E-05 268 0.953E-03 0.412E-03
DAV: 28 -0.383539880995E+03 -0.10079E-03 -0.28744E-06 236 0.466E-03 0.582E-03
DAV: 29 -0.383539967403E+03 -0.86408E-04 -0.28941E-06 204 0.392E-03 0.226E-03
DAV: 30 -0.383540006866E+03 -0.39463E-04 -0.20798E-06 220 0.350E-03 0.139E-03
DAV: 31 -0.383540027275E+03 -0.20410E-04 -0.65965E-07 212 0.195E-03 0.113E-03
DAV: 32 -0.383540039986E+03 -0.12711E-04 -0.59712E-07 220 0.202E-03 0.918E-04
DAV: 33 -0.383540049478E+03 -0.94920E-05 -0.25296E-07 212 0.121E-03
1 F= -.38354005E+03 E0= -.38355324E+03 d E =0.395721E-01