iterations/neb0_image02_iter9_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 0.161789693844E+04 0.16179E+04 -0.42272E+04 306 0.697E+02
DAV: 2 0.296830210119E+03 -0.13211E+04 -0.12438E+04 420 0.168E+02
DAV: 3 -0.357986541626E+03 -0.65482E+03 -0.65110E+03 364 0.123E+02
DAV: 4 -0.433477177184E+03 -0.75491E+02 -0.75177E+02 316 0.520E+01
DAV: 5 -0.435189215059E+03 -0.17120E+01 -0.17093E+01 332 0.798E+00 0.427E+01
DAV: 6 -0.389122561450E+03 0.46067E+02 -0.15035E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385604574072E+03 0.35180E+01 -0.12431E+01 340 0.769E+00 0.104E+01
DAV: 8 -0.384159087226E+03 0.14455E+01 -0.21361E+00 332 0.373E+00 0.429E+00
DAV: 9 -0.383594880243E+03 0.56421E+00 -0.10651E+00 324 0.211E+00 0.102E+00
DAV: 10 -0.383539738785E+03 0.55141E-01 -0.10400E-01 332 0.872E-01 0.793E-01
DAV: 11 -0.383505507909E+03 0.34231E-01 -0.86147E-02 356 0.693E-01 0.586E-01
DAV: 12 -0.383495151771E+03 0.10356E-01 -0.50653E-02 348 0.431E-01 0.562E-01
DAV: 13 -0.383485987479E+03 0.91643E-02 -0.44736E-02 340 0.366E-01 0.327E-01
DAV: 14 -0.383485291258E+03 0.69622E-03 -0.50421E-02 300 0.397E-01 0.559E-01
DAV: 15 -0.383484919226E+03 0.37203E-03 -0.23255E-02 316 0.259E-01 0.185E-01
DAV: 16 -0.383496878715E+03 -0.11959E-01 -0.12432E-02 284 0.214E-01 0.187E-01
DAV: 17 -0.383503319696E+03 -0.64410E-02 -0.30322E-03 332 0.124E-01 0.102E-01
DAV: 18 -0.383515330236E+03 -0.12011E-01 -0.19015E-03 276 0.105E-01 0.121E-01
DAV: 19 -0.383523398585E+03 -0.80683E-02 -0.10452E-03 324 0.822E-02 0.560E-02
DAV: 20 -0.383529458827E+03 -0.60602E-02 -0.56776E-04 340 0.598E-02 0.509E-02
DAV: 21 -0.383534007089E+03 -0.45483E-02 -0.30347E-04 364 0.411E-02 0.229E-02
DAV: 22 -0.383537873255E+03 -0.38662E-02 -0.20382E-04 300 0.287E-02 0.147E-02
DAV: 23 -0.383540402486E+03 -0.25292E-02 -0.15217E-04 300 0.212E-02 0.152E-02
DAV: 24 -0.383541407366E+03 -0.10049E-02 -0.48853E-05 276 0.123E-02 0.721E-03
DAV: 25 -0.383541923282E+03 -0.51592E-03 -0.17868E-05 244 0.808E-03 0.410E-03
DAV: 26 -0.383542201450E+03 -0.27817E-03 -0.98232E-06 220 0.706E-03 0.425E-03
DAV: 27 -0.383542335573E+03 -0.13412E-03 -0.54084E-06 228 0.416E-03 0.267E-03
DAV: 28 -0.383542406004E+03 -0.70431E-04 -0.25294E-06 196 0.344E-03 0.983E-04
DAV: 29 -0.383542441882E+03 -0.35878E-04 -0.19259E-06 220 0.237E-03 0.134E-03
DAV: 30 -0.383542452516E+03 -0.10635E-04 -0.57434E-07 228 0.180E-03 0.474E-04
DAV: 31 -0.383542467876E+03 -0.15360E-04 -0.70289E-07 204 0.157E-03 0.944E-04
DAV: 32 -0.383542469199E+03 -0.13231E-05 -0.13753E-07 228 0.919E-04
1 F= -.38354247E+03 E0= -.38355541E+03 d E =0.388233E-01