iterations/neb0_image05_iter31_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 0.144948719301E+04 0.14495E+04 -0.44210E+04 330 0.697E+02
DAV: 2 0.231864474389E+03 -0.12176E+04 -0.11422E+04 417 0.163E+02
DAV: 3 -0.361196181305E+03 -0.59306E+03 -0.58986E+03 345 0.114E+02
DAV: 4 -0.433131326340E+03 -0.71935E+02 -0.71682E+02 318 0.515E+01
DAV: 5 -0.434771493603E+03 -0.16402E+01 -0.16376E+01 318 0.796E+00 0.426E+01
DAV: 6 -0.388970444903E+03 0.45801E+02 -0.14703E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385523756847E+03 0.34467E+01 -0.13365E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.384048858716E+03 0.14749E+01 -0.18758E+00 336 0.380E+00 0.428E+00
DAV: 9 -0.383513385203E+03 0.53547E+00 -0.83590E-01 336 0.209E+00 0.103E+00
DAV: 10 -0.383445039037E+03 0.68346E-01 -0.13268E-01 327 0.946E-01 0.833E-01
DAV: 11 -0.383416163680E+03 0.28875E-01 -0.48677E-02 327 0.575E-01 0.633E-01
DAV: 12 -0.383393282968E+03 0.22881E-01 -0.16978E-02 318 0.390E-01 0.391E-01
DAV: 13 -0.383380483585E+03 0.12799E-01 -0.18523E-02 309 0.413E-01 0.345E-01
DAV: 14 -0.383377631150E+03 0.28524E-02 -0.30576E-02 318 0.385E-01 0.500E-01
DAV: 15 -0.383378752027E+03 -0.11209E-02 -0.42904E-02 354 0.263E-01 0.247E-01
DAV: 16 -0.383386111383E+03 -0.73594E-02 -0.55216E-03 300 0.235E-01 0.227E-01
DAV: 17 -0.383399318831E+03 -0.13207E-01 -0.16390E-02 345 0.293E-01 0.407E-01
DAV: 18 -0.383398622269E+03 0.69656E-03 -0.24579E-03 327 0.131E-01 0.268E-01
DAV: 19 -0.383401712612E+03 -0.30903E-02 -0.70582E-04 291 0.578E-02 0.212E-01
DAV: 20 -0.383409117721E+03 -0.74051E-02 -0.18423E-03 336 0.963E-02 0.108E-01
DAV: 21 -0.383417821654E+03 -0.87039E-02 -0.10849E-03 363 0.929E-02 0.598E-02
DAV: 22 -0.383420686048E+03 -0.28644E-02 -0.26007E-04 318 0.412E-02 0.614E-02
DAV: 23 -0.383422865501E+03 -0.21795E-02 -0.15115E-04 309 0.271E-02 0.295E-02
DAV: 24 -0.383426731031E+03 -0.38655E-02 -0.23515E-04 300 0.317E-02 0.209E-02
DAV: 25 -0.383427657647E+03 -0.92662E-03 -0.36936E-05 282 0.140E-02 0.192E-02
DAV: 26 -0.383428592218E+03 -0.93457E-03 -0.30723E-05 264 0.121E-02 0.950E-03
DAV: 27 -0.383429524515E+03 -0.93230E-03 -0.54077E-05 282 0.146E-02 0.112E-02
DAV: 28 -0.383429751207E+03 -0.22669E-03 -0.10691E-05 246 0.914E-03 0.891E-03
DAV: 29 -0.383429932524E+03 -0.18132E-03 -0.64652E-06 210 0.505E-03 0.528E-03
DAV: 30 -0.383429997718E+03 -0.65194E-04 -0.32353E-06 228 0.384E-03 0.204E-03
DAV: 31 -0.383430063858E+03 -0.66140E-04 -0.28391E-06 219 0.368E-03 0.324E-03
DAV: 32 -0.383430094600E+03 -0.30741E-04 -0.14492E-06 219 0.271E-03 0.186E-03
DAV: 33 -0.383430105323E+03 -0.10723E-04 -0.65069E-07 237 0.195E-03 0.123E-03
DAV: 34 -0.383430117913E+03 -0.12590E-04 -0.50562E-07 201 0.162E-03 0.573E-04
DAV: 35 -0.383430126864E+03 -0.89515E-05 -0.39551E-07 219 0.124E-03
1 F= -.38343013E+03 E0= -.38344703E+03 d E =0.507070E-01