iterations/neb0_image03_iter7_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 0.161851229833E+04 0.16185E+04 -0.42275E+04 306 0.697E+02
DAV: 2 0.297602149681E+03 -0.13209E+04 -0.12436E+04 420 0.168E+02
DAV: 3 -0.357378080040E+03 -0.65498E+03 -0.65138E+03 364 0.123E+02
DAV: 4 -0.433419545164E+03 -0.76041E+02 -0.75723E+02 316 0.521E+01
DAV: 5 -0.435157821707E+03 -0.17383E+01 -0.17361E+01 332 0.800E+00 0.427E+01
DAV: 6 -0.389093172226E+03 0.46065E+02 -0.15144E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385594653959E+03 0.34985E+01 -0.12318E+01 340 0.767E+00 0.104E+01
DAV: 8 -0.384145515888E+03 0.14491E+01 -0.23411E+00 332 0.380E+00 0.431E+00
DAV: 9 -0.383596202555E+03 0.54931E+00 -0.12161E+00 324 0.211E+00 0.106E+00
DAV: 10 -0.383536730607E+03 0.59472E-01 -0.11271E-01 332 0.909E-01 0.768E-01
DAV: 11 -0.383500378892E+03 0.36352E-01 -0.68440E-02 324 0.666E-01 0.520E-01
DAV: 12 -0.383487722536E+03 0.12656E-01 -0.48617E-02 372 0.547E-01 0.663E-01
DAV: 13 -0.383482195408E+03 0.55271E-02 -0.40100E-02 332 0.335E-01 0.341E-01
DAV: 14 -0.383482313385E+03 -0.11798E-03 -0.28972E-02 308 0.324E-01 0.506E-01
DAV: 15 -0.383483677192E+03 -0.13638E-02 -0.14408E-02 316 0.267E-01 0.349E-01
DAV: 16 -0.383486883797E+03 -0.32066E-02 -0.14608E-02 340 0.181E-01 0.163E-01
DAV: 17 -0.383496592320E+03 -0.97085E-02 -0.25370E-03 276 0.136E-01 0.111E-01
DAV: 18 -0.383509789583E+03 -0.13197E-01 -0.29977E-03 300 0.130E-01 0.150E-01
DAV: 19 -0.383518153426E+03 -0.83638E-02 -0.26000E-03 308 0.112E-01 0.753E-02
DAV: 20 -0.383523999252E+03 -0.58458E-02 -0.70515E-04 324 0.646E-02 0.737E-02
DAV: 21 -0.383528597210E+03 -0.45980E-02 -0.33498E-04 324 0.393E-02 0.222E-02
DAV: 22 -0.383532574564E+03 -0.39774E-02 -0.21679E-04 308 0.306E-02 0.204E-02
DAV: 23 -0.383535043760E+03 -0.24692E-02 -0.10669E-04 308 0.192E-02 0.177E-02
DAV: 24 -0.383536331792E+03 -0.12880E-02 -0.78559E-05 316 0.166E-02 0.717E-03
DAV: 25 -0.383536914743E+03 -0.58295E-03 -0.22186E-05 244 0.936E-03 0.782E-03
DAV: 26 -0.383537156381E+03 -0.24164E-03 -0.12715E-05 236 0.674E-03 0.353E-03
DAV: 27 -0.383537311939E+03 -0.15556E-03 -0.78124E-06 220 0.576E-03 0.360E-03
DAV: 28 -0.383537380475E+03 -0.68536E-04 -0.30680E-06 212 0.331E-03 0.208E-03
DAV: 29 -0.383537409328E+03 -0.28853E-04 -0.15455E-06 220 0.287E-03 0.178E-03
DAV: 30 -0.383537441650E+03 -0.32322E-04 -0.12548E-06 188 0.206E-03 0.585E-04
DAV: 31 -0.383537451718E+03 -0.10068E-04 -0.48623E-07 220 0.143E-03 0.699E-04
DAV: 32 -0.383537460557E+03 -0.88390E-05 -0.29208E-07 204 0.115E-03
1 F= -.38353746E+03 E0= -.38355041E+03 d E =0.388421E-01