iterations/neb0_image04_iter59_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 0.144841230631E+04 0.14484E+04 -0.44210E+04 330 0.697E+02
DAV: 2 0.230918835909E+03 -0.12175E+04 -0.11404E+04 417 0.163E+02
DAV: 3 -0.364454392874E+03 -0.59537E+03 -0.59208E+03 354 0.115E+02
DAV: 4 -0.433410552631E+03 -0.68956E+02 -0.68704E+02 309 0.497E+01
DAV: 5 -0.434954627016E+03 -0.15441E+01 -0.15416E+01 327 0.767E+00 0.427E+01
DAV: 6 -0.389003328414E+03 0.45951E+02 -0.14881E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385532857237E+03 0.34705E+01 -0.13225E+01 345 0.776E+00 0.104E+01
DAV: 8 -0.384049040262E+03 0.14838E+01 -0.18066E+00 336 0.376E+00 0.427E+00
DAV: 9 -0.383515523225E+03 0.53352E+00 -0.12165E+00 336 0.208E+00 0.106E+00
DAV: 10 -0.383450145035E+03 0.65378E-01 -0.15196E-01 327 0.919E-01 0.993E-01
DAV: 11 -0.383424424580E+03 0.25720E-01 -0.11875E-01 345 0.556E-01 0.750E-01
DAV: 12 -0.383419545481E+03 0.48791E-02 -0.30778E-01 336 0.579E-01 0.105E+00
DAV: 13 -0.383385090590E+03 0.34455E-01 -0.21686E-02 363 0.508E-01 0.353E-01
DAV: 14 -0.383378798116E+03 0.62925E-02 -0.46864E-02 318 0.411E-01 0.583E-01
DAV: 15 -0.383377065462E+03 0.17327E-02 -0.89054E-02 327 0.382E-01 0.405E-01
DAV: 16 -0.383377575490E+03 -0.51003E-03 -0.11567E-02 309 0.222E-01 0.166E-01
DAV: 17 -0.383383892072E+03 -0.63166E-02 -0.35964E-03 291 0.141E-01 0.202E-01
DAV: 18 -0.383396517289E+03 -0.12625E-01 -0.66361E-03 291 0.214E-01 0.901E-02
DAV: 19 -0.383404341248E+03 -0.78240E-02 -0.22604E-03 336 0.135E-01 0.607E-02
DAV: 20 -0.383410372214E+03 -0.60310E-02 -0.65454E-04 318 0.727E-02 0.703E-02
DAV: 21 -0.383418540320E+03 -0.81681E-02 -0.44534E-04 300 0.465E-02 0.643E-02
DAV: 22 -0.383423984782E+03 -0.54445E-02 -0.47276E-04 336 0.391E-02 0.290E-02
DAV: 23 -0.383426147785E+03 -0.21630E-02 -0.11352E-04 309 0.259E-02 0.279E-02
DAV: 24 -0.383427474595E+03 -0.13268E-02 -0.78169E-05 300 0.163E-02 0.211E-02
DAV: 25 -0.383428738824E+03 -0.12642E-02 -0.69983E-05 291 0.159E-02 0.132E-02
DAV: 26 -0.383429735297E+03 -0.99647E-03 -0.55770E-05 282 0.122E-02 0.542E-03
DAV: 27 -0.383429919683E+03 -0.18439E-03 -0.40599E-06 237 0.484E-03 0.329E-03
DAV: 28 -0.383430211997E+03 -0.29231E-03 -0.11744E-05 219 0.559E-03 0.370E-03
DAV: 29 -0.383430312056E+03 -0.10006E-03 -0.25856E-06 228 0.411E-03 0.206E-03
DAV: 30 -0.383430359955E+03 -0.47899E-04 -0.29782E-06 210 0.440E-03 0.313E-03
DAV: 31 -0.383430369158E+03 -0.92031E-05 -0.63417E-07 237 0.214E-03
1 F= -.38343037E+03 E0= -.38344719E+03 d E =0.504572E-01