iterations/neb0_image03_iter19_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 0.161855711536E+04 0.16186E+04 -0.42276E+04 306 0.697E+02
DAV: 2 0.297674480344E+03 -0.13209E+04 -0.12436E+04 420 0.168E+02
DAV: 3 -0.357346986453E+03 -0.65502E+03 -0.65141E+03 364 0.123E+02
DAV: 4 -0.433432035336E+03 -0.76085E+02 -0.75766E+02 316 0.521E+01
DAV: 5 -0.435161349409E+03 -0.17293E+01 -0.17266E+01 324 0.800E+00 0.427E+01
DAV: 6 -0.389107289281E+03 0.46054E+02 -0.15037E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385595864691E+03 0.35114E+01 -0.12418E+01 340 0.768E+00 0.104E+01
DAV: 8 -0.384158171888E+03 0.14377E+01 -0.26845E+00 332 0.387E+00 0.434E+00
DAV: 9 -0.383604233128E+03 0.55394E+00 -0.92666E-01 324 0.204E+00 0.111E+00
DAV: 10 -0.383531143290E+03 0.73090E-01 -0.20654E-01 332 0.100E+00 0.868E-01
DAV: 11 -0.383509414137E+03 0.21729E-01 -0.83824E-02 316 0.505E-01 0.703E-01
DAV: 12 -0.383495408430E+03 0.14006E-01 -0.23409E-01 316 0.518E-01 0.493E-01
DAV: 13 -0.383487904753E+03 0.75037E-02 -0.35761E-02 324 0.374E-01 0.492E-01
DAV: 14 -0.383486308916E+03 0.15958E-02 -0.59901E-02 348 0.368E-01 0.445E-01
DAV: 15 -0.383488815340E+03 -0.25064E-02 -0.24651E-02 340 0.341E-01 0.276E-01
DAV: 16 -0.383492254170E+03 -0.34388E-02 -0.40249E-03 340 0.187E-01 0.207E-01
DAV: 17 -0.383496591931E+03 -0.43378E-02 -0.22361E-03 300 0.105E-01 0.112E-01
DAV: 18 -0.383507498864E+03 -0.10907E-01 -0.19897E-03 300 0.116E-01 0.852E-02
DAV: 19 -0.383517706565E+03 -0.10208E-01 -0.18277E-03 308 0.116E-01 0.127E-01
DAV: 20 -0.383523113572E+03 -0.54070E-02 -0.74353E-04 316 0.743E-02 0.636E-02
DAV: 21 -0.383528998506E+03 -0.58849E-02 -0.56075E-04 308 0.450E-02 0.367E-02
DAV: 22 -0.383533525270E+03 -0.45268E-02 -0.26906E-04 316 0.358E-02 0.265E-02
DAV: 23 -0.383536103872E+03 -0.25786E-02 -0.14313E-04 308 0.257E-02 0.236E-02
DAV: 24 -0.383538294888E+03 -0.21910E-02 -0.13751E-04 308 0.233E-02 0.131E-02
DAV: 25 -0.383538904026E+03 -0.60914E-03 -0.23649E-05 244 0.133E-02 0.882E-03
DAV: 26 -0.383539395480E+03 -0.49145E-03 -0.38792E-05 292 0.158E-02 0.793E-03
DAV: 27 -0.383539561038E+03 -0.16556E-03 -0.39900E-06 236 0.628E-03 0.497E-03
DAV: 28 -0.383539755257E+03 -0.19422E-03 -0.12579E-05 220 0.825E-03 0.324E-03
DAV: 29 -0.383539823194E+03 -0.67938E-04 -0.25658E-06 228 0.380E-03 0.255E-03
DAV: 30 -0.383539873380E+03 -0.50186E-04 -0.15634E-06 196 0.309E-03 0.168E-03
DAV: 31 -0.383539903028E+03 -0.29648E-04 -0.20218E-06 220 0.392E-03 0.199E-03
DAV: 32 -0.383539922047E+03 -0.19018E-04 -0.71316E-07 212 0.214E-03 0.193E-03
DAV: 33 -0.383539932586E+03 -0.10539E-04 -0.71616E-07 220 0.222E-03 0.603E-04
DAV: 34 -0.383539935150E+03 -0.25637E-05 -0.17814E-07 228 0.111E-03
1 F= -.38353994E+03 E0= -.38355318E+03 d E =0.397357E-01