iterations/neb0_image01_iter6_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 0.161668373595E+04 0.16167E+04 -0.42275E+04 306 0.697E+02
DAV: 2 0.296221925673E+03 -0.13205E+04 -0.12433E+04 420 0.168E+02
DAV: 3 -0.358026899317E+03 -0.65425E+03 -0.65069E+03 364 0.123E+02
DAV: 4 -0.433510147084E+03 -0.75483E+02 -0.75180E+02 308 0.519E+01
DAV: 5 -0.435222295220E+03 -0.17121E+01 -0.17093E+01 332 0.797E+00 0.427E+01
DAV: 6 -0.389144985070E+03 0.46077E+02 -0.15046E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385615851466E+03 0.35291E+01 -0.12374E+01 340 0.767E+00 0.104E+01
DAV: 8 -0.384160912054E+03 0.14549E+01 -0.22421E+00 332 0.376E+00 0.430E+00
DAV: 9 -0.383606283719E+03 0.55463E+00 -0.13103E+00 324 0.214E+00 0.108E+00
DAV: 10 -0.383545636767E+03 0.60647E-01 -0.11191E-01 340 0.907E-01 0.788E-01
DAV: 11 -0.383508095357E+03 0.37541E-01 -0.75497E-02 324 0.689E-01 0.530E-01
DAV: 12 -0.383494885445E+03 0.13210E-01 -0.43940E-02 380 0.544E-01 0.671E-01
DAV: 13 -0.383489159512E+03 0.57259E-02 -0.49149E-02 332 0.356E-01 0.356E-01
DAV: 14 -0.383487785318E+03 0.13742E-02 -0.29721E-02 300 0.337E-01 0.447E-01
DAV: 15 -0.383489960330E+03 -0.21750E-02 -0.89667E-03 316 0.259E-01 0.214E-01
DAV: 16 -0.383495122556E+03 -0.51622E-02 -0.88948E-03 332 0.166E-01 0.196E-01
DAV: 17 -0.383504117326E+03 -0.89948E-02 -0.22640E-03 276 0.128E-01 0.104E-01
DAV: 18 -0.383516595604E+03 -0.12478E-01 -0.31366E-03 292 0.122E-01 0.163E-01
DAV: 19 -0.383525710509E+03 -0.91149E-02 -0.26097E-03 308 0.112E-01 0.779E-02
DAV: 20 -0.383531238923E+03 -0.55284E-02 -0.63233E-04 324 0.611E-02 0.611E-02
DAV: 21 -0.383535535319E+03 -0.42964E-02 -0.24623E-04 300 0.338E-02 0.249E-02
DAV: 22 -0.383540030208E+03 -0.44949E-02 -0.24678E-04 308 0.310E-02 0.215E-02
DAV: 23 -0.383542677975E+03 -0.26478E-02 -0.12629E-04 308 0.207E-02 0.140E-02
DAV: 24 -0.383543727125E+03 -0.10492E-02 -0.70552E-05 324 0.162E-02 0.110E-02
DAV: 25 -0.383544405467E+03 -0.67834E-03 -0.27902E-05 252 0.115E-02 0.695E-03
DAV: 26 -0.383544645152E+03 -0.23968E-03 -0.13552E-05 236 0.719E-03 0.380E-03
DAV: 27 -0.383544756611E+03 -0.11146E-03 -0.31185E-06 228 0.427E-03 0.234E-03
DAV: 28 -0.383544862629E+03 -0.10602E-03 -0.37077E-06 196 0.342E-03 0.171E-03
DAV: 29 -0.383544903266E+03 -0.40637E-04 -0.17320E-06 228 0.238E-03 0.221E-03
DAV: 30 -0.383544938107E+03 -0.34841E-04 -0.16180E-06 196 0.226E-03 0.851E-04
DAV: 31 -0.383544941987E+03 -0.38801E-05 -0.42623E-07 228 0.133E-03
1 F= -.38354494E+03 E0= -.38355789E+03 d E =0.388449E-01