iterations/neb0_image05_iter68_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 0.145071653999E+04 0.14507E+04 -0.44224E+04 330 0.697E+02
DAV: 2 0.230965072764E+03 -0.12198E+04 -0.11429E+04 417 0.163E+02
DAV: 3 -0.362126258328E+03 -0.59309E+03 -0.58985E+03 345 0.115E+02
DAV: 4 -0.433448761284E+03 -0.71323E+02 -0.71078E+02 309 0.514E+01
DAV: 5 -0.435091582069E+03 -0.16428E+01 -0.16400E+01 336 0.795E+00 0.427E+01
DAV: 6 -0.388911850031E+03 0.46180E+02 -0.14844E+02 309 0.285E+01 0.209E+01
DAV: 7 -0.385441962780E+03 0.34699E+01 -0.14234E+01 345 0.791E+00 0.104E+01
DAV: 8 -0.383974487676E+03 0.14675E+01 -0.22013E+00 327 0.396E+00 0.438E+00
DAV: 9 -0.383413001313E+03 0.56149E+00 -0.83372E-01 327 0.231E+00 0.131E+00
DAV: 10 -0.383364238905E+03 0.48762E-01 -0.60469E-01 345 0.120E+00 0.809E-01
DAV: 11 -0.383331837171E+03 0.32402E-01 -0.56412E-02 327 0.523E-01 0.652E-01
DAV: 12 -0.383309975732E+03 0.21861E-01 -0.58055E-02 345 0.472E-01 0.565E-01
DAV: 13 -0.383308902547E+03 0.10732E-02 -0.26200E-01 318 0.610E-01 0.117E+00
DAV: 14 -0.383281942286E+03 0.26960E-01 -0.15337E-01 336 0.445E-01 0.337E-01
DAV: 15 -0.383283958748E+03 -0.20165E-02 -0.15885E-02 300 0.321E-01 0.282E-01
DAV: 16 -0.383286503570E+03 -0.25448E-02 -0.58861E-03 336 0.246E-01 0.170E-01
DAV: 17 -0.383292136112E+03 -0.56325E-02 -0.29223E-03 291 0.209E-01 0.177E-01
DAV: 18 -0.383301167198E+03 -0.90311E-02 -0.32501E-03 309 0.164E-01 0.138E-01
DAV: 19 -0.383311916185E+03 -0.10749E-01 -0.30164E-03 309 0.154E-01 0.991E-02
DAV: 20 -0.383317893256E+03 -0.59771E-02 -0.13581E-03 327 0.109E-01 0.762E-02
DAV: 21 -0.383322068970E+03 -0.41757E-02 -0.26165E-04 309 0.501E-02 0.356E-02
DAV: 22 -0.383327197960E+03 -0.51290E-02 -0.25165E-04 291 0.328E-02 0.283E-02
DAV: 23 -0.383331780691E+03 -0.45827E-02 -0.27108E-04 309 0.323E-02 0.159E-02
DAV: 24 -0.383333547011E+03 -0.17663E-02 -0.68761E-05 309 0.164E-02 0.157E-02
DAV: 25 -0.383335069572E+03 -0.15226E-02 -0.85067E-05 291 0.165E-02 0.105E-02
DAV: 26 -0.383335503751E+03 -0.43418E-03 -0.15886E-05 237 0.774E-03 0.686E-03
DAV: 27 -0.383335745118E+03 -0.24137E-03 -0.76458E-06 210 0.547E-03 0.324E-03
DAV: 28 -0.383335870409E+03 -0.12529E-03 -0.50738E-06 228 0.468E-03 0.169E-03
DAV: 29 -0.383335939993E+03 -0.69584E-04 -0.25037E-06 201 0.388E-03 0.160E-03
DAV: 30 -0.383335986514E+03 -0.46521E-04 -0.20011E-06 210 0.253E-03 0.118E-03
DAV: 31 -0.383336000959E+03 -0.14445E-04 -0.61575E-07 237 0.180E-03 0.853E-04
DAV: 32 -0.383336025609E+03 -0.24650E-04 -0.11403E-06 201 0.203E-03 0.974E-04
DAV: 33 -0.383336028103E+03 -0.24943E-05 -0.25241E-07 228 0.131E-03
1 F= -.38333603E+03 E0= -.38335308E+03 d E =0.511560E-01