iterations/neb0_image03_iter8_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 0.144895787135E+04 0.14490E+04 -0.44196E+04 330 0.697E+02
DAV: 2 0.224764214885E+03 -0.12242E+04 -0.11483E+04 435 0.163E+02
DAV: 3 -0.362489246629E+03 -0.58725E+03 -0.58366E+03 345 0.114E+02
DAV: 4 -0.433404417641E+03 -0.70915E+02 -0.70686E+02 309 0.508E+01
DAV: 5 -0.434994939583E+03 -0.15905E+01 -0.15878E+01 318 0.784E+00 0.426E+01
DAV: 6 -0.389057212649E+03 0.45938E+02 -0.14797E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385595129940E+03 0.34621E+01 -0.13196E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.384123410352E+03 0.14717E+01 -0.18523E+00 336 0.378E+00 0.433E+00
DAV: 9 -0.383591761445E+03 0.53165E+00 -0.87348E-01 336 0.229E+00 0.114E+00
DAV: 10 -0.383522313110E+03 0.69448E-01 -0.19565E-01 327 0.100E+00 0.922E-01
DAV: 11 -0.383501760412E+03 0.20553E-01 -0.15074E-01 345 0.552E-01 0.786E-01
DAV: 12 -0.383463680513E+03 0.38080E-01 -0.67609E-02 345 0.565E-01 0.447E-01
DAV: 13 -0.383448410211E+03 0.15270E-01 -0.18914E-02 345 0.434E-01 0.326E-01
DAV: 14 -0.383445191852E+03 0.32184E-02 -0.13964E-02 336 0.405E-01 0.229E-01
DAV: 15 -0.383448109114E+03 -0.29173E-02 -0.66459E-03 309 0.263E-01 0.174E-01
DAV: 16 -0.383454108007E+03 -0.59989E-02 -0.72261E-03 300 0.185E-01 0.267E-01
DAV: 17 -0.383458123531E+03 -0.40155E-02 -0.78693E-03 309 0.138E-01 0.139E-01
DAV: 18 -0.383465157346E+03 -0.70338E-02 -0.39267E-03 300 0.137E-01 0.209E-01
DAV: 19 -0.383469425775E+03 -0.42684E-02 -0.16701E-03 327 0.908E-02 0.779E-02
DAV: 20 -0.383481330126E+03 -0.11904E-01 -0.18678E-03 291 0.121E-01 0.699E-02
DAV: 21 -0.383486525793E+03 -0.51957E-02 -0.88810E-04 327 0.801E-02 0.427E-02
DAV: 22 -0.383489755498E+03 -0.32297E-02 -0.20884E-04 309 0.341E-02 0.585E-02
DAV: 23 -0.383492931213E+03 -0.31757E-02 -0.16550E-04 309 0.310E-02 0.276E-02
DAV: 24 -0.383495424048E+03 -0.24928E-02 -0.15088E-04 309 0.239E-02 0.961E-03
DAV: 25 -0.383496347540E+03 -0.92349E-03 -0.32432E-05 291 0.120E-02 0.798E-03
DAV: 26 -0.383496891257E+03 -0.54372E-03 -0.16651E-05 246 0.822E-03 0.580E-03
DAV: 27 -0.383497173075E+03 -0.28182E-03 -0.86782E-06 237 0.681E-03 0.360E-03
DAV: 28 -0.383497375682E+03 -0.20261E-03 -0.97131E-06 228 0.709E-03 0.437E-03
DAV: 29 -0.383497426902E+03 -0.51220E-04 -0.18823E-06 237 0.441E-03 0.149E-03
DAV: 30 -0.383497473782E+03 -0.46880E-04 -0.31915E-06 192 0.429E-03 0.273E-03
DAV: 31 -0.383497500338E+03 -0.26556E-04 -0.10794E-06 219 0.341E-03 0.133E-03
DAV: 32 -0.383497510909E+03 -0.10571E-04 -0.12241E-06 228 0.267E-03 0.115E-03
DAV: 33 -0.383497522364E+03 -0.11455E-04 -0.38963E-07 201 0.156E-03 0.810E-04
DAV: 34 -0.383497528362E+03 -0.59983E-05 -0.29540E-07 228 0.120E-03
1 F= -.38349753E+03 E0= -.38351408E+03 d E =0.496584E-01