iterations/neb0_image02_iter47_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 0.144908984842E+04 0.14491E+04 -0.44195E+04 330 0.697E+02
DAV: 2 0.224681604582E+03 -0.12244E+04 -0.11472E+04 435 0.163E+02
DAV: 3 -0.363309271915E+03 -0.58799E+03 -0.58483E+03 354 0.114E+02
DAV: 4 -0.433497969679E+03 -0.70189E+02 -0.69965E+02 309 0.503E+01
DAV: 5 -0.435055668691E+03 -0.15577E+01 -0.15551E+01 318 0.767E+00 0.427E+01
DAV: 6 -0.388915242673E+03 0.46140E+02 -0.14873E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385440710311E+03 0.34745E+01 -0.13447E+01 345 0.778E+00 0.104E+01
DAV: 8 -0.383970320072E+03 0.14704E+01 -0.21020E+00 327 0.386E+00 0.438E+00
DAV: 9 -0.383421855662E+03 0.54846E+00 -0.12407E+00 336 0.211E+00 0.116E+00
DAV: 10 -0.383344131792E+03 0.77724E-01 -0.22742E-01 336 0.106E+00 0.108E+00
DAV: 11 -0.383319687970E+03 0.24444E-01 -0.19167E-01 336 0.618E-01 0.796E-01
DAV: 12 -0.383304727395E+03 0.14961E-01 -0.15099E-01 318 0.539E-01 0.114E+00
DAV: 13 -0.383288451834E+03 0.16276E-01 -0.33485E-01 345 0.515E-01 0.779E-01
DAV: 14 -0.383270623655E+03 0.17828E-01 -0.39403E-02 300 0.486E-01 0.502E-01
DAV: 15 -0.383269436527E+03 0.11871E-02 -0.99276E-03 336 0.257E-01 0.435E-01
DAV: 16 -0.383273111665E+03 -0.36751E-02 -0.33309E-02 300 0.252E-01 0.294E-01
DAV: 17 -0.383282832626E+03 -0.97210E-02 -0.33382E-02 327 0.260E-01 0.419E-01
DAV: 18 -0.383294535160E+03 -0.11703E-01 -0.32993E-02 318 0.263E-01 0.304E-01
DAV: 19 -0.383300846667E+03 -0.63115E-02 -0.23759E-03 327 0.144E-01 0.151E-01
DAV: 20 -0.383307565923E+03 -0.67193E-02 -0.60318E-04 309 0.616E-02 0.953E-02
DAV: 21 -0.383314633521E+03 -0.70676E-02 -0.51388E-04 327 0.585E-02 0.627E-02
DAV: 22 -0.383318191819E+03 -0.35583E-02 -0.16889E-04 327 0.409E-02 0.258E-02
DAV: 23 -0.383321908399E+03 -0.37166E-02 -0.29174E-04 300 0.369E-02 0.208E-02
DAV: 24 -0.383322867658E+03 -0.95926E-03 -0.29816E-05 273 0.141E-02 0.164E-02
DAV: 25 -0.383324144487E+03 -0.12768E-02 -0.67035E-05 282 0.203E-02 0.529E-03
DAV: 26 -0.383324763067E+03 -0.61858E-03 -0.24572E-05 246 0.106E-02 0.865E-03
DAV: 27 -0.383324998326E+03 -0.23526E-03 -0.66103E-06 237 0.658E-03 0.550E-03
DAV: 28 -0.383325180041E+03 -0.18172E-03 -0.85917E-06 201 0.653E-03 0.505E-03
DAV: 29 -0.383325277362E+03 -0.97321E-04 -0.29022E-06 228 0.419E-03 0.287E-03
DAV: 30 -0.383325325792E+03 -0.48430E-04 -0.25104E-06 201 0.426E-03 0.157E-03
DAV: 31 -0.383325352046E+03 -0.26254E-04 -0.11375E-06 219 0.232E-03 0.695E-04
DAV: 32 -0.383325367105E+03 -0.15059E-04 -0.74421E-07 201 0.172E-03 0.831E-04
DAV: 33 -0.383325375547E+03 -0.84413E-05 -0.34701E-07 219 0.123E-03
1 F= -.38332538E+03 E0= -.38334204E+03 d E =0.499897E-01