iterations/neb0_image08_iter5_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 0.150962520667E+04 0.15096E+04 -0.43567E+04 322 0.697E+02
DAV: 2 0.254184685796E+03 -0.12554E+04 -0.11781E+04 420 0.164E+02
DAV: 3 -0.353797234050E+03 -0.60798E+03 -0.60371E+03 348 0.117E+02
DAV: 4 -0.432477725267E+03 -0.78680E+02 -0.78325E+02 316 0.535E+01
DAV: 5 -0.434322395837E+03 -0.18447E+01 -0.18416E+01 332 0.826E+00 0.427E+01
DAV: 6 -0.388369332913E+03 0.45953E+02 -0.14867E+02 316 0.285E+01 0.209E+01
DAV: 7 -0.384843591543E+03 0.35257E+01 -0.12548E+01 340 0.775E+00 0.104E+01
DAV: 8 -0.383426796135E+03 0.14168E+01 -0.27041E+00 332 0.394E+00 0.427E+00
DAV: 9 -0.382868893453E+03 0.55790E+00 -0.60653E-01 324 0.194E+00 0.105E+00
DAV: 10 -0.382821474183E+03 0.47419E-01 -0.37877E-01 332 0.115E+00 0.116E+00
DAV: 11 -0.382799128209E+03 0.22346E-01 -0.21314E-01 316 0.558E-01 0.739E-01
DAV: 12 -0.382789317476E+03 0.98107E-02 -0.42293E-02 316 0.354E-01 0.558E-01
DAV: 13 -0.382777928891E+03 0.11389E-01 -0.13181E-01 316 0.493E-01 0.683E-01
DAV: 14 -0.382768903036E+03 0.90259E-02 -0.57270E-02 308 0.316E-01 0.291E-01
DAV: 15 -0.382770647684E+03 -0.17446E-02 -0.80677E-03 300 0.268E-01 0.194E-01
DAV: 16 -0.382779362369E+03 -0.87147E-02 -0.40005E-03 316 0.185E-01 0.150E-01
DAV: 17 -0.382793491529E+03 -0.14129E-01 -0.42674E-03 284 0.172E-01 0.111E-01
DAV: 18 -0.382802082127E+03 -0.85906E-02 -0.28429E-03 316 0.144E-01 0.742E-02
DAV: 19 -0.382807658109E+03 -0.55760E-02 -0.69245E-04 332 0.682E-02 0.692E-02
DAV: 20 -0.382813917856E+03 -0.62597E-02 -0.35324E-04 292 0.397E-02 0.394E-02
DAV: 21 -0.382820251962E+03 -0.63341E-02 -0.37514E-04 316 0.397E-02 0.267E-02
DAV: 22 -0.382822898126E+03 -0.26462E-02 -0.12873E-04 308 0.264E-02 0.175E-02
DAV: 23 -0.382824939649E+03 -0.20415E-02 -0.10081E-04 316 0.201E-02 0.144E-02
DAV: 24 -0.382826296984E+03 -0.13573E-02 -0.69533E-05 292 0.181E-02 0.950E-03
DAV: 25 -0.382826783380E+03 -0.48640E-03 -0.17488E-05 236 0.102E-02 0.601E-03
DAV: 26 -0.382827194267E+03 -0.41089E-03 -0.25419E-05 252 0.911E-03 0.515E-03
DAV: 27 -0.382827317983E+03 -0.12372E-03 -0.41370E-06 228 0.492E-03 0.391E-03
DAV: 28 -0.382827392113E+03 -0.74130E-04 -0.35375E-06 212 0.475E-03 0.200E-03
DAV: 29 -0.382827428163E+03 -0.36050E-04 -0.11263E-06 228 0.274E-03 0.108E-03
DAV: 30 -0.382827467939E+03 -0.39777E-04 -0.17216E-06 212 0.299E-03 0.125E-03
DAV: 31 -0.382827479306E+03 -0.11366E-04 -0.69870E-07 228 0.225E-03 0.116E-03
DAV: 32 -0.382827484914E+03 -0.56079E-05 -0.50830E-07 228 0.179E-03
1 F= -.38282748E+03 E0= -.38284090E+03 d E =0.402443E-01