iterations/neb0_image05_iter63_OSZICAR.out output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
terminated
N E dE d eps ncg rms rms(c)
DAV: 1 0.144832221981E+04 0.14483E+04 -0.44227E+04 330 0.697E+02
DAV: 2 0.230423888467E+03 -0.12179E+04 -0.11409E+04 417 0.163E+02
DAV: 3 -0.364439900189E+03 -0.59486E+03 -0.59170E+03 354 0.114E+02
DAV: 4 -0.433328700068E+03 -0.68889E+02 -0.68636E+02 309 0.496E+01
DAV: 5 -0.434885728926E+03 -0.15570E+01 -0.15542E+01 336 0.770E+00 0.427E+01
DAV: 6 -0.388829971631E+03 0.46056E+02 -0.14971E+02 309 0.286E+01 0.209E+01
DAV: 7 -0.385363035837E+03 0.34669E+01 -0.12971E+01 345 0.778E+00 0.104E+01
DAV: 8 -0.383899583588E+03 0.14635E+01 -0.22549E+00 327 0.381E+00 0.438E+00
DAV: 9 -0.383349931521E+03 0.54965E+00 -0.14828E+00 345 0.236E+00 0.131E+00
DAV: 10 -0.383281302813E+03 0.68629E-01 -0.27647E-01 336 0.112E+00 0.951E-01
DAV: 11 -0.383253311813E+03 0.27991E-01 -0.59102E-02 336 0.606E-01 0.718E-01
DAV: 12 -0.383231289804E+03 0.22022E-01 -0.88379E-02 345 0.529E-01 0.681E-01
DAV: 13 -0.383219934930E+03 0.11355E-01 -0.59886E-02 372 0.550E-01 0.107E+00
DAV: 14 -0.383207328113E+03 0.12607E-01 -0.14168E-01 354 0.380E-01 0.447E-01
DAV: 15 -0.383204351859E+03 0.29763E-02 -0.10829E-02 300 0.302E-01 0.235E-01
DAV: 16 -0.383207157337E+03 -0.28055E-02 -0.89656E-03 318 0.284E-01 0.165E-01
DAV: 17 -0.383215336871E+03 -0.81795E-02 -0.34676E-03 318 0.180E-01 0.126E-01
DAV: 18 -0.383227521411E+03 -0.12185E-01 -0.21296E-03 300 0.152E-01 0.733E-02
DAV: 19 -0.383236256390E+03 -0.87350E-02 -0.15669E-03 327 0.117E-01 0.668E-02
DAV: 20 -0.383241330597E+03 -0.50742E-02 -0.60573E-04 327 0.713E-02 0.548E-02
DAV: 21 -0.383247025687E+03 -0.56951E-02 -0.29287E-04 309 0.396E-02 0.524E-02
DAV: 22 -0.383250653052E+03 -0.36274E-02 -0.19150E-04 336 0.320E-02 0.179E-02
DAV: 23 -0.383253767466E+03 -0.31144E-02 -0.18065E-04 291 0.269E-02 0.142E-02
DAV: 24 -0.383254968782E+03 -0.12013E-02 -0.46306E-05 300 0.138E-02 0.689E-03
DAV: 25 -0.383255848439E+03 -0.87966E-03 -0.40017E-05 282 0.133E-02 0.612E-03
DAV: 26 -0.383256122729E+03 -0.27429E-03 -0.61575E-06 237 0.628E-03 0.395E-03
DAV: 27 -0.383256318250E+03 -0.19552E-03 -0.74630E-06 201 0.590E-03 0.312E-03
DAV: 28 -0.383256439515E+03 -0.12126E-03 -0.40970E-06 219 0.493E-03 0.250E-03
DAV: 29 -0.383256504476E+03 -0.64961E-04 -0.23276E-06 201 0.373E-03 0.267E-03
DAV: 30 -0.383256533163E+03 -0.28687E-04 -0.19554E-06 219 0.370E-03 0.149E-03
DAV: 31 -0.383256544809E+03 -0.11646E-04 -0.69917E-07 210 0.209E-03 0.851E-04
DAV: 32 -0.383256552353E+03 -0.75441E-05 -0.30731E-07 210 0.104E-03
1 F= -.38325655E+03 E0= -.38327332E+03 d E =0.502902E-01