iterations/neb0_image01_iter36_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 0.144707655332E+04 0.14471E+04 -0.44188E+04 330 0.697E+02
DAV: 2 0.227736342006E+03 -0.12193E+04 -0.11422E+04 426 0.163E+02
DAV: 3 -0.363177244954E+03 -0.59091E+03 -0.58743E+03 354 0.114E+02
DAV: 4 -0.433506480247E+03 -0.70329E+02 -0.70057E+02 318 0.506E+01
DAV: 5 -0.435078022715E+03 -0.15715E+01 -0.15696E+01 327 0.770E+00 0.427E+01
DAV: 6 -0.389047881896E+03 0.46030E+02 -0.15018E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385561518460E+03 0.34864E+01 -0.12729E+01 345 0.774E+00 0.104E+01
DAV: 8 -0.384118406635E+03 0.14431E+01 -0.23084E+00 336 0.379E+00 0.429E+00
DAV: 9 -0.383557990891E+03 0.56042E+00 -0.12967E+00 336 0.220E+00 0.116E+00
DAV: 10 -0.383481280469E+03 0.76710E-01 -0.18537E-01 318 0.109E+00 0.938E-01
DAV: 11 -0.383456745612E+03 0.24535E-01 -0.11421E-01 318 0.656E-01 0.723E-01
DAV: 12 -0.383431748844E+03 0.24997E-01 -0.28854E-02 327 0.523E-01 0.548E-01
DAV: 13 -0.383421924463E+03 0.98244E-02 -0.13585E-02 345 0.409E-01 0.473E-01
DAV: 14 -0.383415840776E+03 0.60837E-02 -0.17098E-02 318 0.439E-01 0.738E-01
DAV: 15 -0.383410537772E+03 0.53030E-02 -0.79691E-02 327 0.349E-01 0.237E-01
DAV: 16 -0.383416603946E+03 -0.60662E-02 -0.54128E-03 291 0.195E-01 0.167E-01
DAV: 17 -0.383423520776E+03 -0.69168E-02 -0.77853E-03 345 0.160E-01 0.162E-01
DAV: 18 -0.383432465202E+03 -0.89444E-02 -0.26329E-03 291 0.180E-01 0.109E-01
DAV: 19 -0.383439380375E+03 -0.69152E-02 -0.24825E-03 327 0.146E-01 0.137E-01
DAV: 20 -0.383447814204E+03 -0.84338E-02 -0.21987E-03 300 0.975E-02 0.876E-02
DAV: 21 -0.383453726221E+03 -0.59120E-02 -0.65135E-04 309 0.656E-02 0.457E-02
DAV: 22 -0.383458004690E+03 -0.42785E-02 -0.27042E-04 318 0.419E-02 0.503E-02
DAV: 23 -0.383461246964E+03 -0.32423E-02 -0.16433E-04 318 0.320E-02 0.242E-02
DAV: 24 -0.383462779994E+03 -0.15330E-02 -0.53394E-05 318 0.165E-02 0.138E-02
DAV: 25 -0.383464627920E+03 -0.18479E-02 -0.11224E-04 309 0.213E-02 0.934E-03
DAV: 26 -0.383465145414E+03 -0.51749E-03 -0.14798E-05 246 0.106E-02 0.132E-02
DAV: 27 -0.383465511769E+03 -0.36635E-03 -0.14183E-05 237 0.872E-03 0.103E-02
DAV: 28 -0.383465768645E+03 -0.25688E-03 -0.10777E-05 237 0.597E-03 0.470E-03
DAV: 29 -0.383465873904E+03 -0.10526E-03 -0.32186E-06 237 0.453E-03 0.269E-03
DAV: 30 -0.383465946779E+03 -0.72875E-04 -0.22681E-06 210 0.319E-03 0.166E-03
DAV: 31 -0.383465993831E+03 -0.47051E-04 -0.13680E-06 210 0.233E-03 0.122E-03
DAV: 32 -0.383466011091E+03 -0.17260E-04 -0.80664E-07 228 0.225E-03 0.965E-04
DAV: 33 -0.383466026345E+03 -0.15254E-04 -0.59342E-07 192 0.162E-03 0.994E-04
DAV: 34 -0.383466030861E+03 -0.45162E-05 -0.24133E-07 219 0.105E-03
1 F= -.38346603E+03 E0= -.38348264E+03 d E =0.498423E-01