iterations/neb0_image03_iter11_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 0.161856034766E+04 0.16186E+04 -0.42276E+04 306 0.697E+02
DAV: 2 0.297621274720E+03 -0.13209E+04 -0.12437E+04 420 0.168E+02
DAV: 3 -0.357374083579E+03 -0.65500E+03 -0.65139E+03 364 0.123E+02
DAV: 4 -0.433427934034E+03 -0.76054E+02 -0.75735E+02 316 0.521E+01
DAV: 5 -0.435166936490E+03 -0.17390E+01 -0.17368E+01 332 0.800E+00 0.427E+01
DAV: 6 -0.389095533666E+03 0.46071E+02 -0.15144E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385600228978E+03 0.34953E+01 -0.12407E+01 340 0.767E+00 0.104E+01
DAV: 8 -0.384161454757E+03 0.14388E+01 -0.27493E+00 332 0.389E+00 0.431E+00
DAV: 9 -0.383581182995E+03 0.58027E+00 -0.62481E-01 324 0.197E+00 0.982E-01
DAV: 10 -0.383519886188E+03 0.61297E-01 -0.15532E-01 340 0.976E-01 0.748E-01
DAV: 11 -0.383505572865E+03 0.14313E-01 -0.34055E-02 316 0.414E-01 0.628E-01
DAV: 12 -0.383494765128E+03 0.10808E-01 -0.10292E-01 316 0.396E-01 0.546E-01
DAV: 13 -0.383484663158E+03 0.10102E-01 -0.88927E-02 316 0.419E-01 0.688E-01
DAV: 14 -0.383479210835E+03 0.54523E-02 -0.50890E-02 356 0.244E-01 0.278E-01
DAV: 15 -0.383482744381E+03 -0.35335E-02 -0.84189E-03 308 0.265E-01 0.215E-01
DAV: 16 -0.383490608365E+03 -0.78640E-02 -0.44255E-03 308 0.193E-01 0.147E-01
DAV: 17 -0.383504232980E+03 -0.13625E-01 -0.40548E-03 276 0.192E-01 0.239E-01
DAV: 18 -0.383513565350E+03 -0.93324E-02 -0.56571E-03 340 0.201E-01 0.107E-01
DAV: 19 -0.383518026571E+03 -0.44612E-02 -0.17973E-03 332 0.107E-01 0.924E-02
DAV: 20 -0.383519632808E+03 -0.16062E-02 -0.56450E-04 316 0.479E-02 0.639E-02
DAV: 21 -0.383524932340E+03 -0.52995E-02 -0.47607E-04 308 0.537E-02 0.321E-02
DAV: 22 -0.383530196764E+03 -0.52644E-02 -0.44131E-04 316 0.515E-02 0.408E-02
DAV: 23 -0.383530729615E+03 -0.53285E-03 -0.13036E-04 316 0.269E-02 0.305E-02
DAV: 24 -0.383533891060E+03 -0.31614E-02 -0.13028E-04 292 0.246E-02 0.193E-02
DAV: 25 -0.383536256153E+03 -0.23651E-02 -0.15608E-04 300 0.217E-02 0.112E-02
DAV: 26 -0.383537195800E+03 -0.93965E-03 -0.43746E-05 284 0.138E-02 0.744E-03
DAV: 27 -0.383537872524E+03 -0.67672E-03 -0.32443E-05 268 0.113E-02 0.512E-03
DAV: 28 -0.383538075991E+03 -0.20347E-03 -0.87701E-06 228 0.606E-03 0.585E-03
DAV: 29 -0.383538210028E+03 -0.13404E-03 -0.72422E-06 220 0.574E-03 0.249E-03
DAV: 30 -0.383538271430E+03 -0.61402E-04 -0.33618E-06 228 0.366E-03 0.282E-03
DAV: 31 -0.383538299998E+03 -0.28569E-04 -0.99542E-07 228 0.207E-03 0.201E-03
DAV: 32 -0.383538344921E+03 -0.44922E-04 -0.21615E-06 212 0.282E-03 0.108E-03
DAV: 33 -0.383538349135E+03 -0.42146E-05 -0.43927E-07 228 0.149E-03
1 F= -.38353835E+03 E0= -.38355561E+03 d E =0.517706E-01