iterations/neb0_image04_iter52_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 0.144893286899E+04 0.14489E+04 -0.44206E+04 330 0.697E+02
DAV: 2 0.224045753032E+03 -0.12249E+04 -0.11487E+04 435 0.163E+02
DAV: 3 -0.362949260731E+03 -0.58700E+03 -0.58392E+03 345 0.114E+02
DAV: 4 -0.433360680927E+03 -0.70411E+02 -0.70171E+02 309 0.508E+01
DAV: 5 -0.434954633591E+03 -0.15940E+01 -0.15913E+01 327 0.783E+00 0.426E+01
DAV: 6 -0.389032003403E+03 0.45923E+02 -0.14790E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385567552136E+03 0.34645E+01 -0.13330E+01 345 0.777E+00 0.104E+01
DAV: 8 -0.384083375543E+03 0.14842E+01 -0.18209E+00 327 0.378E+00 0.430E+00
DAV: 9 -0.383560702823E+03 0.52267E+00 -0.13594E+00 336 0.216E+00 0.112E+00
DAV: 10 -0.383491779967E+03 0.68923E-01 -0.18179E-01 327 0.958E-01 0.957E-01
DAV: 11 -0.383468978370E+03 0.22802E-01 -0.13260E-01 336 0.556E-01 0.870E-01
DAV: 12 -0.383451970723E+03 0.17008E-01 -0.98982E-02 354 0.669E-01 0.115E+00
DAV: 13 -0.383424397350E+03 0.27573E-01 -0.23400E-01 345 0.549E-01 0.468E-01
DAV: 14 -0.383413771325E+03 0.10626E-01 -0.21594E-02 318 0.425E-01 0.289E-01
DAV: 15 -0.383414735990E+03 -0.96467E-03 -0.34458E-02 309 0.322E-01 0.557E-01
DAV: 16 -0.383415264380E+03 -0.52839E-03 -0.19511E-02 309 0.226E-01 0.164E-01
DAV: 17 -0.383423934087E+03 -0.86697E-02 -0.33011E-03 300 0.181E-01 0.102E-01
DAV: 18 -0.383436114251E+03 -0.12180E-01 -0.29096E-03 300 0.172E-01 0.105E-01
DAV: 19 -0.383445855795E+03 -0.97415E-02 -0.17682E-03 318 0.125E-01 0.578E-02
DAV: 20 -0.383452624594E+03 -0.67688E-02 -0.59454E-04 336 0.599E-02 0.845E-02
DAV: 21 -0.383457459333E+03 -0.48347E-02 -0.41093E-04 318 0.391E-02 0.273E-02
DAV: 22 -0.383461493322E+03 -0.40340E-02 -0.31016E-04 318 0.359E-02 0.494E-02
DAV: 23 -0.383464100089E+03 -0.26068E-02 -0.22786E-04 300 0.271E-02 0.175E-02
DAV: 24 -0.383465122465E+03 -0.10224E-02 -0.49685E-05 318 0.163E-02 0.139E-02
DAV: 25 -0.383465949997E+03 -0.82753E-03 -0.29377E-05 255 0.109E-02 0.807E-03
DAV: 26 -0.383466464673E+03 -0.51468E-03 -0.21553E-05 273 0.910E-03 0.681E-03
DAV: 27 -0.383466696893E+03 -0.23222E-03 -0.65147E-06 219 0.537E-03 0.444E-03
DAV: 28 -0.383466827550E+03 -0.13066E-03 -0.43681E-06 219 0.409E-03 0.316E-03
DAV: 29 -0.383466925779E+03 -0.98229E-04 -0.36443E-06 210 0.372E-03 0.262E-03
DAV: 30 -0.383466950170E+03 -0.24391E-04 -0.15709E-06 228 0.253E-03 0.129E-03
DAV: 31 -0.383466965135E+03 -0.14966E-04 -0.80738E-07 210 0.207E-03 0.943E-04
DAV: 32 -0.383466976356E+03 -0.11220E-04 -0.49498E-07 228 0.149E-03 0.858E-04
DAV: 33 -0.383466984541E+03 -0.81853E-05 -0.33832E-07 210 0.122E-03
1 F= -.38346698E+03 E0= -.38348371E+03 d E =0.501798E-01