iterations/neb0_image08_iter13_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 0.151132176404E+04 0.15113E+04 -0.43575E+04 322 0.697E+02
DAV: 2 0.253499810126E+03 -0.12578E+04 -0.11800E+04 420 0.164E+02
DAV: 3 -0.357801760113E+03 -0.61130E+03 -0.60686E+03 356 0.117E+02
DAV: 4 -0.433136856230E+03 -0.75335E+02 -0.74991E+02 316 0.517E+01
DAV: 5 -0.434857636145E+03 -0.17208E+01 -0.17178E+01 332 0.796E+00 0.428E+01
DAV: 6 -0.388607039289E+03 0.46251E+02 -0.14984E+02 316 0.286E+01 0.209E+01
DAV: 7 -0.385046941057E+03 0.35601E+01 -0.12639E+01 340 0.778E+00 0.104E+01
DAV: 8 -0.383623337480E+03 0.14236E+01 -0.25464E+00 332 0.392E+00 0.426E+00
DAV: 9 -0.383066720524E+03 0.55662E+00 -0.64007E-01 332 0.198E+00 0.105E+00
DAV: 10 -0.383022926614E+03 0.43794E-01 -0.29406E-01 332 0.974E-01 0.771E-01
DAV: 11 -0.382999272086E+03 0.23655E-01 -0.32700E-02 324 0.456E-01 0.599E-01
DAV: 12 -0.382985326225E+03 0.13946E-01 -0.73310E-02 348 0.565E-01 0.698E-01
DAV: 13 -0.382970927153E+03 0.14399E-01 -0.76573E-02 308 0.420E-01 0.298E-01
DAV: 14 -0.382971867468E+03 -0.94031E-03 -0.17847E-02 340 0.277E-01 0.242E-01
DAV: 15 -0.382979205537E+03 -0.73381E-02 -0.20265E-02 332 0.281E-01 0.318E-01
DAV: 16 -0.382982704001E+03 -0.34985E-02 -0.75622E-03 308 0.190E-01 0.117E-01
DAV: 17 -0.382994872118E+03 -0.12168E-01 -0.28104E-03 292 0.132E-01 0.701E-02
DAV: 18 -0.383005909612E+03 -0.11037E-01 -0.21470E-03 292 0.122E-01 0.502E-02
DAV: 19 -0.383014830401E+03 -0.89208E-02 -0.94347E-04 308 0.771E-02 0.532E-02
DAV: 20 -0.383019473054E+03 -0.46427E-02 -0.23042E-04 308 0.386E-02 0.273E-02
DAV: 21 -0.383024666682E+03 -0.51936E-02 -0.39999E-04 292 0.375E-02 0.242E-02
DAV: 22 -0.383026516475E+03 -0.18498E-02 -0.14084E-04 308 0.196E-02 0.966E-03
DAV: 23 -0.383028149102E+03 -0.16326E-02 -0.87944E-05 284 0.169E-02 0.713E-03
DAV: 24 -0.383028702724E+03 -0.55362E-03 -0.21624E-05 252 0.842E-03 0.454E-03
DAV: 25 -0.383029013823E+03 -0.31110E-03 -0.97136E-06 220 0.615E-03 0.342E-03
DAV: 26 -0.383029159292E+03 -0.14547E-03 -0.68482E-06 228 0.498E-03 0.183E-03
DAV: 27 -0.383029240652E+03 -0.81360E-04 -0.27602E-06 204 0.360E-03 0.166E-03
DAV: 28 -0.383029285770E+03 -0.45118E-04 -0.24317E-06 220 0.317E-03 0.133E-03
DAV: 29 -0.383029298932E+03 -0.13162E-04 -0.69842E-07 236 0.189E-03 0.757E-04
DAV: 30 -0.383029313271E+03 -0.14339E-04 -0.69285E-07 212 0.181E-03 0.517E-04
DAV: 31 -0.383029319705E+03 -0.64334E-05 -0.26496E-07 228 0.117E-03
1 F= -.38302932E+03 E0= -.38304245E+03 d E =0.393878E-01