iterations/neb0_image02_iter21_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 0.161790735872E+04 0.16179E+04 -0.42272E+04 306 0.697E+02
DAV: 2 0.296840357616E+03 -0.13211E+04 -0.12438E+04 420 0.168E+02
DAV: 3 -0.357973099380E+03 -0.65481E+03 -0.65110E+03 364 0.123E+02
DAV: 4 -0.433483280746E+03 -0.75510E+02 -0.75196E+02 316 0.520E+01
DAV: 5 -0.435196307838E+03 -0.17130E+01 -0.17103E+01 332 0.798E+00 0.427E+01
DAV: 6 -0.389128806987E+03 0.46068E+02 -0.15036E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385607551423E+03 0.35213E+01 -0.12406E+01 340 0.768E+00 0.104E+01
DAV: 8 -0.384159327162E+03 0.14482E+01 -0.22032E+00 332 0.376E+00 0.430E+00
DAV: 9 -0.383603507139E+03 0.55582E+00 -0.12337E+00 324 0.214E+00 0.105E+00
DAV: 10 -0.383545139105E+03 0.58368E-01 -0.11023E-01 332 0.902E-01 0.787E-01
DAV: 11 -0.383508428606E+03 0.36710E-01 -0.76108E-02 324 0.681E-01 0.531E-01
DAV: 12 -0.383496986400E+03 0.11442E-01 -0.64358E-02 356 0.517E-01 0.731E-01
DAV: 13 -0.383490482509E+03 0.65039E-02 -0.11839E-01 332 0.380E-01 0.360E-01
DAV: 14 -0.383486759245E+03 0.37233E-02 -0.25551E-02 300 0.342E-01 0.291E-01
DAV: 15 -0.383491675319E+03 -0.49161E-02 -0.19765E-02 316 0.258E-01 0.211E-01
DAV: 16 -0.383494925653E+03 -0.32503E-02 -0.53299E-03 324 0.164E-01 0.124E-01
DAV: 17 -0.383506914632E+03 -0.11989E-01 -0.31989E-03 276 0.138E-01 0.108E-01
DAV: 18 -0.383516842497E+03 -0.99279E-02 -0.13994E-03 308 0.105E-01 0.117E-01
DAV: 19 -0.383525673932E+03 -0.88314E-02 -0.13146E-03 316 0.956E-02 0.573E-02
DAV: 20 -0.383531757912E+03 -0.60840E-02 -0.12751E-03 356 0.705E-02 0.634E-02
DAV: 21 -0.383535501203E+03 -0.37433E-02 -0.27762E-04 308 0.364E-02 0.276E-02
DAV: 22 -0.383540372721E+03 -0.48715E-02 -0.38739E-04 308 0.380E-02 0.309E-02
DAV: 23 -0.383542904428E+03 -0.25317E-02 -0.12686E-04 308 0.224E-02 0.147E-02
DAV: 24 -0.383543946105E+03 -0.10417E-02 -0.66369E-05 308 0.165E-02 0.692E-03
DAV: 25 -0.383544456680E+03 -0.51057E-03 -0.12848E-05 228 0.808E-03 0.678E-03
DAV: 26 -0.383544837853E+03 -0.38117E-03 -0.21587E-05 244 0.794E-03 0.372E-03
DAV: 27 -0.383544894064E+03 -0.56211E-04 -0.26795E-06 236 0.439E-03 0.252E-03
DAV: 28 -0.383545013231E+03 -0.11917E-03 -0.45574E-06 188 0.482E-03 0.288E-03
DAV: 29 -0.383545044674E+03 -0.31443E-04 -0.14806E-06 228 0.241E-03 0.185E-03
DAV: 30 -0.383545062616E+03 -0.17942E-04 -0.55451E-07 212 0.199E-03 0.942E-04
DAV: 31 -0.383545092222E+03 -0.29606E-04 -0.15079E-06 204 0.271E-03 0.137E-03
DAV: 32 -0.383545094633E+03 -0.24113E-05 -0.26984E-07 228 0.138E-03
1 F= -.38354509E+03 E0= -.38355814E+03 d E =0.391448E-01