iterations/neb0_image02_iter28_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 0.161787801321E+04 0.16179E+04 -0.42272E+04 306 0.697E+02
DAV: 2 0.296788434331E+03 -0.13211E+04 -0.12438E+04 420 0.168E+02
DAV: 3 -0.357994564683E+03 -0.65478E+03 -0.65107E+03 364 0.123E+02
DAV: 4 -0.433479581542E+03 -0.75485E+02 -0.75171E+02 316 0.520E+01
DAV: 5 -0.435192235318E+03 -0.17127E+01 -0.17099E+01 332 0.798E+00 0.427E+01
DAV: 6 -0.389126884364E+03 0.46065E+02 -0.15036E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385607090500E+03 0.35198E+01 -0.12413E+01 340 0.768E+00 0.104E+01
DAV: 8 -0.384154909126E+03 0.14522E+01 -0.22170E+00 332 0.376E+00 0.430E+00
DAV: 9 -0.383604210165E+03 0.55070E+00 -0.12660E+00 324 0.211E+00 0.106E+00
DAV: 10 -0.383545827748E+03 0.58382E-01 -0.10974E-01 332 0.905E-01 0.775E-01
DAV: 11 -0.383508983632E+03 0.36844E-01 -0.72906E-02 324 0.687E-01 0.523E-01
DAV: 12 -0.383496409110E+03 0.12575E-01 -0.44748E-02 372 0.544E-01 0.675E-01
DAV: 13 -0.383490619562E+03 0.57895E-02 -0.44318E-02 340 0.347E-01 0.349E-01
DAV: 14 -0.383489493250E+03 0.11263E-02 -0.25656E-02 300 0.325E-01 0.463E-01
DAV: 15 -0.383491205080E+03 -0.17118E-02 -0.89603E-03 308 0.259E-01 0.249E-01
DAV: 16 -0.383495594127E+03 -0.43890E-02 -0.10208E-02 340 0.166E-01 0.181E-01
DAV: 17 -0.383505054374E+03 -0.94602E-02 -0.21396E-03 276 0.127E-01 0.100E-01
DAV: 18 -0.383518754109E+03 -0.13700E-01 -0.33049E-03 292 0.133E-01 0.158E-01
DAV: 19 -0.383526752459E+03 -0.79984E-02 -0.23902E-03 316 0.108E-01 0.695E-02
DAV: 20 -0.383532397775E+03 -0.56453E-02 -0.60774E-04 324 0.574E-02 0.728E-02
DAV: 21 -0.383537372593E+03 -0.49748E-02 -0.43609E-04 300 0.415E-02 0.216E-02
DAV: 22 -0.383541469635E+03 -0.40970E-02 -0.23561E-04 308 0.313E-02 0.227E-02
DAV: 23 -0.383543408974E+03 -0.19393E-02 -0.79832E-05 300 0.174E-02 0.157E-02
DAV: 24 -0.383544591271E+03 -0.11823E-02 -0.80240E-05 324 0.169E-02 0.111E-02
DAV: 25 -0.383545151513E+03 -0.56024E-03 -0.20111E-05 244 0.103E-02 0.639E-03
DAV: 26 -0.383545442108E+03 -0.29060E-03 -0.19340E-05 260 0.834E-03 0.541E-03
DAV: 27 -0.383545542714E+03 -0.10061E-03 -0.32546E-06 228 0.483E-03 0.182E-03
DAV: 28 -0.383545639580E+03 -0.96866E-04 -0.32979E-06 212 0.346E-03 0.230E-03
DAV: 29 -0.383545702130E+03 -0.62551E-04 -0.18096E-06 212 0.253E-03 0.283E-03
DAV: 30 -0.383545739802E+03 -0.37672E-04 -0.22472E-06 212 0.297E-03 0.133E-03
DAV: 31 -0.383545746302E+03 -0.64996E-05 -0.50567E-07 228 0.161E-03
1 F= -.38354575E+03 E0= -.38355890E+03 d E =0.394663E-01