iterations/neb0_image04_iter23_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 0.161891845352E+04 0.16189E+04 -0.42281E+04 306 0.697E+02
DAV: 2 0.298009481844E+03 -0.13209E+04 -0.12420E+04 420 0.168E+02
DAV: 3 -0.354112250100E+03 -0.65212E+03 -0.64853E+03 356 0.123E+02
DAV: 4 -0.433260347567E+03 -0.79148E+02 -0.78807E+02 316 0.540E+01
DAV: 5 -0.435104147442E+03 -0.18438E+01 -0.18416E+01 340 0.830E+00 0.427E+01
DAV: 6 -0.389064211315E+03 0.46040E+02 -0.15049E+02 316 0.286E+01 0.208E+01
DAV: 7 -0.385570057549E+03 0.34942E+01 -0.12562E+01 340 0.770E+00 0.104E+01
DAV: 8 -0.384143372123E+03 0.14267E+01 -0.26910E+00 332 0.389E+00 0.432E+00
DAV: 9 -0.383567736472E+03 0.57564E+00 -0.67864E-01 324 0.199E+00 0.111E+00
DAV: 10 -0.383521983643E+03 0.45753E-01 -0.42519E-01 340 0.102E+00 0.780E-01
DAV: 11 -0.383496654883E+03 0.25329E-01 -0.29779E-02 324 0.474E-01 0.615E-01
DAV: 12 -0.383473691601E+03 0.22963E-01 -0.76976E-02 348 0.687E-01 0.664E-01
DAV: 13 -0.383465409604E+03 0.82820E-02 -0.53439E-02 316 0.403E-01 0.336E-01
DAV: 14 -0.383466824674E+03 -0.14151E-02 -0.47244E-02 308 0.302E-01 0.457E-01
DAV: 15 -0.383469645699E+03 -0.28210E-02 -0.17083E-02 332 0.220E-01 0.293E-01
DAV: 16 -0.383475847927E+03 -0.62022E-02 -0.73519E-03 300 0.204E-01 0.234E-01
DAV: 17 -0.383485194951E+03 -0.93470E-02 -0.32614E-03 308 0.157E-01 0.160E-01
DAV: 18 -0.383494119010E+03 -0.89241E-02 -0.26424E-03 308 0.120E-01 0.715E-02
DAV: 19 -0.383505849343E+03 -0.11730E-01 -0.16519E-03 300 0.998E-02 0.597E-02
DAV: 20 -0.383510941823E+03 -0.50925E-02 -0.51551E-04 340 0.528E-02 0.437E-02
DAV: 21 -0.383514831625E+03 -0.38898E-02 -0.14770E-04 308 0.279E-02 0.228E-02
DAV: 22 -0.383519735233E+03 -0.49036E-02 -0.28037E-04 300 0.324E-02 0.209E-02
DAV: 23 -0.383521391893E+03 -0.16567E-02 -0.71120E-05 308 0.179E-02 0.163E-02
DAV: 24 -0.383522611883E+03 -0.12200E-02 -0.64076E-05 292 0.148E-02 0.737E-03
DAV: 25 -0.383523175002E+03 -0.56312E-03 -0.22328E-05 244 0.991E-03 0.983E-03
DAV: 26 -0.383523507884E+03 -0.33288E-03 -0.13759E-05 228 0.751E-03 0.333E-03
DAV: 27 -0.383523674425E+03 -0.16654E-03 -0.10189E-05 212 0.538E-03 0.307E-03
DAV: 28 -0.383523729775E+03 -0.55350E-04 -0.17383E-06 236 0.281E-03 0.251E-03
DAV: 29 -0.383523785999E+03 -0.56225E-04 -0.20457E-06 196 0.241E-03 0.106E-03
DAV: 30 -0.383523800832E+03 -0.14833E-04 -0.77665E-07 228 0.176E-03 0.114E-03
DAV: 31 -0.383523812184E+03 -0.11351E-04 -0.38133E-07 212 0.118E-03 0.532E-04
DAV: 32 -0.383523819389E+03 -0.72053E-05 -0.26472E-07 220 0.945E-04
1 F= -.38352382E+03 E0= -.38353766E+03 d E =0.415297E-01