iterations/neb0_image02_iter67_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 0.144805118303E+04 0.14481E+04 -0.44193E+04 330 0.697E+02
DAV: 2 0.224097648236E+03 -0.12240E+04 -0.11471E+04 435 0.163E+02
DAV: 3 -0.363030376881E+03 -0.58713E+03 -0.58397E+03 345 0.114E+02
DAV: 4 -0.433497657925E+03 -0.70467E+02 -0.70234E+02 309 0.508E+01
DAV: 5 -0.435078478728E+03 -0.15808E+01 -0.15781E+01 318 0.780E+00 0.426E+01
DAV: 6 -0.389068140910E+03 0.46010E+02 -0.14823E+02 318 0.285E+01 0.208E+01
DAV: 7 -0.385610660387E+03 0.34575E+01 -0.13875E+01 345 0.781E+00 0.104E+01
DAV: 8 -0.384131614490E+03 0.14790E+01 -0.20694E+00 336 0.386E+00 0.433E+00
DAV: 9 -0.383592942796E+03 0.53867E+00 -0.16747E+00 336 0.242E+00 0.140E+00
DAV: 10 -0.383527994718E+03 0.64948E-01 -0.35908E-01 336 0.115E+00 0.106E+00
DAV: 11 -0.383498324480E+03 0.29670E-01 -0.22733E-01 336 0.660E-01 0.983E-01
DAV: 12 -0.383483622212E+03 0.14702E-01 -0.31165E-01 354 0.762E-01 0.831E-01
DAV: 13 -0.383462601477E+03 0.21021E-01 -0.10562E-01 363 0.530E-01 0.615E-01
DAV: 14 -0.383451697717E+03 0.10904E-01 -0.30345E-02 327 0.345E-01 0.447E-01
DAV: 15 -0.383448209479E+03 0.34882E-02 -0.26552E-02 309 0.446E-01 0.419E-01
DAV: 16 -0.383449312765E+03 -0.11033E-02 -0.16818E-02 318 0.287E-01 0.233E-01
DAV: 17 -0.383455573124E+03 -0.62604E-02 -0.40030E-03 282 0.181E-01 0.137E-01
DAV: 18 -0.383465395822E+03 -0.98227E-02 -0.22311E-03 300 0.151E-01 0.831E-02
DAV: 19 -0.383478722225E+03 -0.13326E-01 -0.19749E-03 318 0.145E-01 0.549E-02
DAV: 20 -0.383486818884E+03 -0.80967E-02 -0.10213E-03 309 0.887E-02 0.623E-02
DAV: 21 -0.383489701609E+03 -0.28827E-02 -0.11612E-04 345 0.288E-02 0.429E-02
DAV: 22 -0.383494270569E+03 -0.45690E-02 -0.31136E-04 300 0.394E-02 0.192E-02
DAV: 23 -0.383497329647E+03 -0.30591E-02 -0.17992E-04 318 0.269E-02 0.227E-02
DAV: 24 -0.383498201092E+03 -0.87144E-03 -0.37422E-05 309 0.173E-02 0.223E-02
DAV: 25 -0.383499067743E+03 -0.86665E-03 -0.50794E-05 291 0.160E-02 0.142E-02
DAV: 26 -0.383499461989E+03 -0.39425E-03 -0.11691E-05 237 0.976E-03 0.469E-03
DAV: 27 -0.383499752450E+03 -0.29046E-03 -0.12305E-05 228 0.715E-03 0.815E-03
DAV: 28 -0.383499947486E+03 -0.19504E-03 -0.59586E-06 219 0.620E-03 0.393E-03
DAV: 29 -0.383500013290E+03 -0.65804E-04 -0.32685E-06 237 0.391E-03 0.454E-03
DAV: 30 -0.383500068054E+03 -0.54764E-04 -0.18146E-06 201 0.343E-03 0.199E-03
DAV: 31 -0.383500089413E+03 -0.21359E-04 -0.10461E-06 228 0.217E-03 0.127E-03
DAV: 32 -0.383500108793E+03 -0.19380E-04 -0.80498E-07 201 0.193E-03 0.445E-04
DAV: 33 -0.383500115410E+03 -0.66172E-05 -0.33226E-07 228 0.117E-03
1 F= -.38350012E+03 E0= -.38351306E+03 d E =0.388415E-01