iterations/neb0_image03_iter34_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 0.144865295817E+04 0.14487E+04 -0.44196E+04 330 0.697E+02
DAV: 2 0.224598747196E+03 -0.12241E+04 -0.11481E+04 435 0.163E+02
DAV: 3 -0.362500106131E+03 -0.58710E+03 -0.58350E+03 345 0.114E+02
DAV: 4 -0.433383221691E+03 -0.70883E+02 -0.70654E+02 309 0.508E+01
DAV: 5 -0.434974586399E+03 -0.15914E+01 -0.15887E+01 318 0.783E+00 0.426E+01
DAV: 6 -0.389049931897E+03 0.45925E+02 -0.14795E+02 318 0.285E+01 0.208E+01
DAV: 7 -0.385598890209E+03 0.34510E+01 -0.13555E+01 345 0.781E+00 0.104E+01
DAV: 8 -0.384122427837E+03 0.14765E+01 -0.19659E+00 327 0.381E+00 0.428E+00
DAV: 9 -0.383573726699E+03 0.54870E+00 -0.10237E+00 327 0.227E+00 0.114E+00
DAV: 10 -0.383519679064E+03 0.54048E-01 -0.23623E-01 336 0.994E-01 0.108E+00
DAV: 11 -0.383495670145E+03 0.24009E-01 -0.25058E-01 336 0.611E-01 0.861E-01
DAV: 12 -0.383475633868E+03 0.20036E-01 -0.13705E-01 372 0.578E-01 0.958E-01
DAV: 13 -0.383459765920E+03 0.15868E-01 -0.59116E-02 390 0.456E-01 0.509E-01
DAV: 14 -0.383444405264E+03 0.15361E-01 -0.18514E-02 309 0.429E-01 0.191E-01
DAV: 15 -0.383446316992E+03 -0.19117E-02 -0.13234E-02 327 0.349E-01 0.154E-01
DAV: 16 -0.383453339671E+03 -0.70227E-02 -0.37029E-03 291 0.208E-01 0.153E-01
DAV: 17 -0.383465030938E+03 -0.11691E-01 -0.44063E-03 363 0.232E-01 0.142E-01
DAV: 18 -0.383473437616E+03 -0.84067E-02 -0.56088E-03 345 0.209E-01 0.187E-01
DAV: 19 -0.383474246164E+03 -0.80855E-03 -0.13738E-03 336 0.883E-02 0.124E-01
DAV: 20 -0.383476627213E+03 -0.23810E-02 -0.23438E-04 300 0.357E-02 0.856E-02
DAV: 21 -0.383484313724E+03 -0.76865E-02 -0.54615E-04 300 0.546E-02 0.530E-02
DAV: 22 -0.383489855671E+03 -0.55419E-02 -0.48212E-04 336 0.463E-02 0.330E-02
DAV: 23 -0.383492270345E+03 -0.24147E-02 -0.12703E-04 336 0.249E-02 0.306E-02
DAV: 24 -0.383494862526E+03 -0.25922E-02 -0.11304E-04 282 0.198E-02 0.170E-02
DAV: 25 -0.383496174322E+03 -0.13118E-02 -0.60251E-05 318 0.143E-02 0.102E-02
DAV: 26 -0.383496689271E+03 -0.51495E-03 -0.13346E-05 246 0.872E-03 0.949E-03
DAV: 27 -0.383497157061E+03 -0.46779E-03 -0.16530E-05 255 0.820E-03 0.594E-03
DAV: 28 -0.383497460915E+03 -0.30385E-03 -0.10125E-05 237 0.623E-03 0.616E-03
DAV: 29 -0.383497575173E+03 -0.11426E-03 -0.38869E-06 237 0.420E-03 0.266E-03
DAV: 30 -0.383497636040E+03 -0.60867E-04 -0.25633E-06 210 0.312E-03 0.168E-03
DAV: 31 -0.383497684148E+03 -0.48107E-04 -0.17813E-06 219 0.271E-03 0.255E-03
DAV: 32 -0.383497707671E+03 -0.23523E-04 -0.12250E-06 219 0.221E-03 0.753E-04
DAV: 33 -0.383497715540E+03 -0.78692E-05 -0.60274E-07 228 0.149E-03
1 F= -.38349772E+03 E0= -.38351449E+03 d E =0.503123E-01