iterations/neb0_image03_iter4_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 0.161844398379E+04 0.16184E+04 -0.42275E+04 306 0.697E+02
DAV: 2 0.297553339291E+03 -0.13209E+04 -0.12436E+04 420 0.168E+02
DAV: 3 -0.357374522716E+03 -0.65493E+03 -0.65131E+03 364 0.123E+02
DAV: 4 -0.433416983676E+03 -0.76042E+02 -0.75724E+02 316 0.521E+01
DAV: 5 -0.435155247525E+03 -0.17383E+01 -0.17361E+01 332 0.800E+00 0.427E+01
DAV: 6 -0.389093303142E+03 0.46062E+02 -0.15144E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385597791499E+03 0.34955E+01 -0.12358E+01 340 0.767E+00 0.104E+01
DAV: 8 -0.384159260047E+03 0.14385E+01 -0.27287E+00 332 0.388E+00 0.433E+00
DAV: 9 -0.383595022346E+03 0.56424E+00 -0.80224E-01 324 0.203E+00 0.122E+00
DAV: 10 -0.383539458489E+03 0.55564E-01 -0.50081E-01 340 0.106E+00 0.794E-01
DAV: 11 -0.383512392706E+03 0.27066E-01 -0.32467E-02 324 0.487E-01 0.669E-01
DAV: 12 -0.383492334640E+03 0.20058E-01 -0.14928E-01 396 0.744E-01 0.795E-01
DAV: 13 -0.383485123997E+03 0.72106E-02 -0.97557E-02 340 0.410E-01 0.826E-01
DAV: 14 -0.383477659751E+03 0.74642E-02 -0.13288E-01 316 0.348E-01 0.422E-01
DAV: 15 -0.383479984167E+03 -0.23244E-02 -0.69354E-03 300 0.208E-01 0.272E-01
DAV: 16 -0.383493035286E+03 -0.13051E-01 -0.18945E-02 308 0.301E-01 0.171E-01
DAV: 17 -0.383501925411E+03 -0.88901E-02 -0.39459E-03 316 0.169E-01 0.134E-01
DAV: 18 -0.383506660550E+03 -0.47351E-02 -0.10160E-03 292 0.755E-02 0.128E-01
DAV: 19 -0.383518512569E+03 -0.11852E-01 -0.30870E-03 300 0.102E-01 0.818E-02
DAV: 20 -0.383523551341E+03 -0.50388E-02 -0.57608E-04 308 0.653E-02 0.614E-02
DAV: 21 -0.383526685086E+03 -0.31337E-02 -0.31449E-04 340 0.530E-02 0.375E-02
DAV: 22 -0.383532079344E+03 -0.53943E-02 -0.33810E-04 308 0.391E-02 0.281E-02
DAV: 23 -0.383534827007E+03 -0.27477E-02 -0.13907E-04 308 0.219E-02 0.213E-02
DAV: 24 -0.383536534163E+03 -0.17072E-02 -0.97598E-05 308 0.241E-02 0.872E-03
DAV: 25 -0.383537629593E+03 -0.10954E-02 -0.53728E-05 292 0.150E-02 0.947E-03
DAV: 26 -0.383537981586E+03 -0.35199E-03 -0.94467E-06 228 0.725E-03 0.937E-03
DAV: 27 -0.383538321071E+03 -0.33949E-03 -0.23341E-05 236 0.103E-02 0.353E-03
DAV: 28 -0.383538392778E+03 -0.71707E-04 -0.26446E-06 236 0.513E-03 0.288E-03
DAV: 29 -0.383538444313E+03 -0.51535E-04 -0.36403E-06 204 0.544E-03 0.251E-03
DAV: 30 -0.383538490880E+03 -0.46567E-04 -0.11179E-06 212 0.338E-03 0.122E-03
DAV: 31 -0.383538534165E+03 -0.43285E-04 -0.25614E-06 212 0.397E-03 0.174E-03
DAV: 32 -0.383538545514E+03 -0.11348E-04 -0.51822E-07 228 0.205E-03 0.121E-03
DAV: 33 -0.383538555382E+03 -0.98686E-05 -0.74272E-07 220 0.237E-03
1 F= -.38353856E+03 E0= -.38355243E+03 d E =0.416194E-01