iterations/neb0_image05_iter20_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 0.161960182115E+04 0.16196E+04 -0.42284E+04 306 0.697E+02
DAV: 2 0.300006979733E+03 -0.13196E+04 -0.12415E+04 420 0.168E+02
DAV: 3 -0.358446836060E+03 -0.65845E+03 -0.65495E+03 364 0.123E+02
DAV: 4 -0.433369673521E+03 -0.74923E+02 -0.74646E+02 308 0.527E+01
DAV: 5 -0.435031964481E+03 -0.16623E+01 -0.16596E+01 332 0.806E+00 0.426E+01
DAV: 6 -0.389023555813E+03 0.46008E+02 -0.14969E+02 316 0.286E+01 0.208E+01
DAV: 7 -0.385520937161E+03 0.35026E+01 -0.12571E+01 340 0.771E+00 0.104E+01
DAV: 8 -0.384102068719E+03 0.14189E+01 -0.28753E+00 340 0.391E+00 0.435E+00
DAV: 9 -0.383536905706E+03 0.56516E+00 -0.76925E-01 324 0.203E+00 0.122E+00
DAV: 10 -0.383483153638E+03 0.53752E-01 -0.56097E-01 340 0.108E+00 0.786E-01
DAV: 11 -0.383458341855E+03 0.24812E-01 -0.31412E-02 324 0.485E-01 0.636E-01
DAV: 12 -0.383435330096E+03 0.23012E-01 -0.13144E-01 356 0.695E-01 0.828E-01
DAV: 13 -0.383426685102E+03 0.86450E-02 -0.85232E-02 364 0.433E-01 0.637E-01
DAV: 14 -0.383422458452E+03 0.42266E-02 -0.46162E-02 300 0.320E-01 0.305E-01
DAV: 15 -0.383425668151E+03 -0.32097E-02 -0.87964E-03 316 0.208E-01 0.317E-01
DAV: 16 -0.383436260376E+03 -0.10592E-01 -0.25773E-02 308 0.282E-01 0.224E-01
DAV: 17 -0.383444427760E+03 -0.81674E-02 -0.46031E-03 316 0.183E-01 0.130E-01
DAV: 18 -0.383452214455E+03 -0.77867E-02 -0.11951E-03 284 0.940E-02 0.816E-02
DAV: 19 -0.383462806939E+03 -0.10592E-01 -0.15107E-03 300 0.848E-02 0.478E-02
DAV: 20 -0.383468598312E+03 -0.57914E-02 -0.42183E-04 316 0.537E-02 0.541E-02
DAV: 21 -0.383473012057E+03 -0.44137E-02 -0.35491E-04 364 0.545E-02 0.454E-02
DAV: 22 -0.383476998679E+03 -0.39866E-02 -0.22362E-04 316 0.320E-02 0.255E-02
DAV: 23 -0.383478706911E+03 -0.17082E-02 -0.10258E-04 316 0.213E-02 0.152E-02
DAV: 24 -0.383480395438E+03 -0.16885E-02 -0.85708E-05 292 0.194E-02 0.124E-02
DAV: 25 -0.383480904031E+03 -0.50859E-03 -0.16456E-05 244 0.891E-03 0.697E-03
DAV: 26 -0.383481371232E+03 -0.46720E-03 -0.21970E-05 244 0.752E-03 0.450E-03
DAV: 27 -0.383481577972E+03 -0.20674E-03 -0.65374E-06 228 0.468E-03 0.174E-03
DAV: 28 -0.383481656522E+03 -0.78549E-04 -0.28063E-06 228 0.285E-03 0.162E-03
DAV: 29 -0.383481721038E+03 -0.64517E-04 -0.23752E-06 212 0.270E-03 0.983E-04
DAV: 30 -0.383481738767E+03 -0.17728E-04 -0.94029E-07 228 0.168E-03 0.111E-03
DAV: 31 -0.383481751966E+03 -0.13199E-04 -0.59279E-07 212 0.172E-03 0.784E-04
DAV: 32 -0.383481755428E+03 -0.34617E-05 -0.25057E-07 228 0.987E-04
1 F= -.38348176E+03 E0= -.38349526E+03 d E =0.405039E-01