iterations/neb0_image05_iter50_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 0.144943932047E+04 0.14494E+04 -0.44221E+04 330 0.697E+02
DAV: 2 0.231033595610E+03 -0.12184E+04 -0.11416E+04 417 0.163E+02
DAV: 3 -0.361791354795E+03 -0.59282E+03 -0.58962E+03 345 0.115E+02
DAV: 4 -0.433216767130E+03 -0.71425E+02 -0.71176E+02 309 0.514E+01
DAV: 5 -0.434869093718E+03 -0.16523E+01 -0.16494E+01 336 0.797E+00 0.427E+01
DAV: 6 -0.388888226916E+03 0.45981E+02 -0.14793E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385418355375E+03 0.34699E+01 -0.13113E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.383966324273E+03 0.14520E+01 -0.19793E+00 327 0.379E+00 0.426E+00
DAV: 9 -0.383390729841E+03 0.57559E+00 -0.65957E-01 336 0.199E+00 0.101E+00
DAV: 10 -0.383350099939E+03 0.40630E-01 -0.28951E-01 345 0.869E-01 0.936E-01
DAV: 11 -0.383317596416E+03 0.32504E-01 -0.19408E-01 327 0.561E-01 0.732E-01
DAV: 12 -0.383287397932E+03 0.30198E-01 -0.48948E-02 336 0.476E-01 0.339E-01
DAV: 13 -0.383278654952E+03 0.87430E-02 -0.14633E-02 327 0.379E-01 0.251E-01
DAV: 14 -0.383277532494E+03 0.11225E-02 -0.80759E-03 309 0.310E-01 0.210E-01
DAV: 15 -0.383285614913E+03 -0.80824E-02 -0.65035E-03 327 0.283E-01 0.164E-01
DAV: 16 -0.383293172127E+03 -0.75572E-02 -0.47453E-03 318 0.181E-01 0.128E-01
DAV: 17 -0.383303155038E+03 -0.99829E-02 -0.23379E-03 300 0.131E-01 0.655E-02
DAV: 18 -0.383312485812E+03 -0.93308E-02 -0.14350E-03 309 0.109E-01 0.656E-02
DAV: 19 -0.383318144778E+03 -0.56590E-02 -0.84672E-04 336 0.734E-02 0.466E-02
DAV: 20 -0.383324118980E+03 -0.59742E-02 -0.38897E-04 300 0.444E-02 0.260E-02
DAV: 21 -0.383328246485E+03 -0.41275E-02 -0.23362E-04 327 0.316E-02 0.131E-02
DAV: 22 -0.383330321892E+03 -0.20754E-02 -0.10716E-04 309 0.228E-02 0.102E-02
DAV: 23 -0.383331541796E+03 -0.12199E-02 -0.47185E-05 291 0.127E-02 0.656E-03
DAV: 24 -0.383332129939E+03 -0.58814E-03 -0.21085E-05 246 0.118E-02 0.350E-03
DAV: 25 -0.383332520758E+03 -0.39082E-03 -0.17817E-05 246 0.797E-03 0.423E-03
DAV: 26 -0.383332621198E+03 -0.10044E-03 -0.26499E-06 237 0.500E-03 0.256E-03
DAV: 27 -0.383332729206E+03 -0.10801E-03 -0.69108E-06 192 0.739E-03 0.331E-03
DAV: 28 -0.383332755852E+03 -0.26646E-04 -0.15191E-06 219 0.387E-03 0.253E-03
DAV: 29 -0.383332779589E+03 -0.23736E-04 -0.17475E-06 210 0.369E-03 0.123E-03
DAV: 30 -0.383332789730E+03 -0.10141E-04 -0.44864E-07 219 0.191E-03 0.939E-04
DAV: 31 -0.383332795377E+03 -0.56477E-05 -0.27093E-07 228 0.118E-03
1 F= -.38333280E+03 E0= -.38334593E+03 d E =0.394073E-01