iterations/neb0_image03_iter28_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 0.161850727988E+04 0.16185E+04 -0.42276E+04 306 0.697E+02
DAV: 2 0.297636858707E+03 -0.13209E+04 -0.12436E+04 420 0.168E+02
DAV: 3 -0.362736485434E+03 -0.66037E+03 -0.65724E+03 372 0.123E+02
DAV: 4 -0.433652455326E+03 -0.70916E+02 -0.70658E+02 316 0.506E+01
DAV: 5 -0.435161520840E+03 -0.15091E+01 -0.15069E+01 324 0.768E+00 0.427E+01
DAV: 6 -0.389103107611E+03 0.46058E+02 -0.15074E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385598845325E+03 0.35043E+01 -0.12415E+01 340 0.768E+00 0.104E+01
DAV: 8 -0.384163185669E+03 0.14357E+01 -0.27985E+00 340 0.390E+00 0.435E+00
DAV: 9 -0.383610056074E+03 0.55313E+00 -0.10188E+00 324 0.207E+00 0.111E+00
DAV: 10 -0.383529007125E+03 0.81049E-01 -0.15829E-01 332 0.994E-01 0.776E-01
DAV: 11 -0.383505965432E+03 0.23042E-01 -0.32825E-02 316 0.466E-01 0.535E-01
DAV: 12 -0.383489589450E+03 0.16376E-01 -0.12778E-01 324 0.534E-01 0.474E-01
DAV: 13 -0.383482547378E+03 0.70421E-02 -0.85381E-03 324 0.307E-01 0.385E-01
DAV: 14 -0.383488930239E+03 -0.63829E-02 -0.97626E-02 340 0.412E-01 0.694E-01
DAV: 15 -0.383485102396E+03 0.38278E-02 -0.59932E-02 308 0.265E-01 0.216E-01
DAV: 16 -0.383491456022E+03 -0.63536E-02 -0.10236E-02 308 0.154E-01 0.154E-01
DAV: 17 -0.383500043636E+03 -0.85876E-02 -0.50823E-03 292 0.118E-01 0.120E-01
DAV: 18 -0.383512512736E+03 -0.12469E-01 -0.53962E-03 284 0.161E-01 0.881E-02
DAV: 19 -0.383520482984E+03 -0.79702E-02 -0.18585E-03 324 0.109E-01 0.714E-02
DAV: 20 -0.383526833342E+03 -0.63504E-02 -0.36036E-04 308 0.477E-02 0.378E-02
DAV: 21 -0.383533119431E+03 -0.62861E-02 -0.36648E-04 316 0.434E-02 0.438E-02
DAV: 22 -0.383536349707E+03 -0.32303E-02 -0.19132E-04 316 0.313E-02 0.295E-02
DAV: 23 -0.383538466893E+03 -0.21172E-02 -0.12354E-04 332 0.260E-02 0.344E-02
DAV: 24 -0.383539287170E+03 -0.82028E-03 -0.50820E-05 292 0.157E-02 0.159E-02
DAV: 25 -0.383539769875E+03 -0.48270E-03 -0.20296E-05 244 0.104E-02 0.755E-03
DAV: 26 -0.383540136220E+03 -0.36635E-03 -0.22241E-05 228 0.902E-03 0.496E-03
DAV: 27 -0.383540262730E+03 -0.12651E-03 -0.72065E-06 236 0.565E-03 0.342E-03
DAV: 28 -0.383540338983E+03 -0.76253E-04 -0.22195E-06 204 0.356E-03 0.307E-03
DAV: 29 -0.383540389932E+03 -0.50949E-04 -0.20538E-06 212 0.298E-03 0.156E-03
DAV: 30 -0.383540416738E+03 -0.26806E-04 -0.12373E-06 212 0.247E-03 0.899E-04
DAV: 31 -0.383540428838E+03 -0.12100E-04 -0.54425E-07 228 0.152E-03 0.805E-04
DAV: 32 -0.383540437020E+03 -0.81826E-05 -0.32447E-07 212 0.118E-03
1 F= -.38354044E+03 E0= -.38355373E+03 d E =0.398732E-01