iterations/neb0_image04_iter66_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 0.144827432009E+04 0.14483E+04 -0.44209E+04 330 0.697E+02
DAV: 2 0.230760780409E+03 -0.12175E+04 -0.11404E+04 417 0.163E+02
DAV: 3 -0.364509307650E+03 -0.59527E+03 -0.59196E+03 354 0.115E+02
DAV: 4 -0.433441385517E+03 -0.68932E+02 -0.68680E+02 309 0.496E+01
DAV: 5 -0.434985473719E+03 -0.15441E+01 -0.15416E+01 327 0.767E+00 0.427E+01
DAV: 6 -0.389023320653E+03 0.45962E+02 -0.14894E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385547986422E+03 0.34753E+01 -0.13056E+01 345 0.777E+00 0.104E+01
DAV: 8 -0.384077616143E+03 0.14704E+01 -0.19511E+00 327 0.378E+00 0.429E+00
DAV: 9 -0.383528318655E+03 0.54930E+00 -0.12682E+00 336 0.213E+00 0.105E+00
DAV: 10 -0.383462590110E+03 0.65729E-01 -0.11813E-01 327 0.891E-01 0.886E-01
DAV: 11 -0.383433858260E+03 0.28732E-01 -0.10072E-01 336 0.689E-01 0.754E-01
DAV: 12 -0.383409352756E+03 0.24506E-01 -0.58342E-02 318 0.416E-01 0.444E-01
DAV: 13 -0.383408964064E+03 0.38869E-03 -0.18620E-01 381 0.507E-01 0.879E-01
DAV: 14 -0.383392425881E+03 0.16538E-01 -0.64022E-02 318 0.420E-01 0.453E-01
DAV: 15 -0.383392686561E+03 -0.26068E-03 -0.81046E-03 318 0.242E-01 0.274E-01
DAV: 16 -0.383396069527E+03 -0.33830E-02 -0.60117E-03 309 0.209E-01 0.159E-01
DAV: 17 -0.383403280028E+03 -0.72105E-02 -0.45013E-03 336 0.221E-01 0.136E-01
DAV: 18 -0.383410556638E+03 -0.72766E-02 -0.28344E-03 309 0.174E-01 0.223E-01
DAV: 19 -0.383412782792E+03 -0.22262E-02 -0.19887E-03 390 0.137E-01 0.164E-01
DAV: 20 -0.383422077620E+03 -0.92948E-02 -0.18308E-03 291 0.160E-01 0.106E-01
DAV: 21 -0.383426890064E+03 -0.48124E-02 -0.11771E-03 327 0.869E-02 0.113E-01
DAV: 22 -0.383431790223E+03 -0.49002E-02 -0.44226E-04 309 0.615E-02 0.335E-02
DAV: 23 -0.383436300687E+03 -0.45105E-02 -0.38573E-04 318 0.406E-02 0.425E-02
DAV: 24 -0.383439622149E+03 -0.33215E-02 -0.20611E-04 291 0.278E-02 0.330E-02
DAV: 25 -0.383442154175E+03 -0.25320E-02 -0.13785E-04 309 0.287E-02 0.168E-02
DAV: 26 -0.383443495177E+03 -0.13410E-02 -0.61597E-05 309 0.183E-02 0.186E-02
DAV: 27 -0.383443878434E+03 -0.38326E-03 -0.17100E-05 255 0.830E-03 0.205E-02
DAV: 28 -0.383444604703E+03 -0.72627E-03 -0.52423E-05 273 0.119E-02 0.115E-02
DAV: 29 -0.383444759847E+03 -0.15514E-03 -0.76057E-06 237 0.719E-03 0.132E-02
DAV: 30 -0.383444819863E+03 -0.60016E-04 -0.26299E-06 237 0.381E-03 0.912E-03
DAV: 31 -0.383444973968E+03 -0.15410E-03 -0.85547E-06 201 0.561E-03 0.363E-03
DAV: 32 -0.383445007397E+03 -0.33429E-04 -0.21690E-06 228 0.337E-03 0.492E-03
DAV: 33 -0.383445037873E+03 -0.30476E-04 -0.13757E-06 210 0.251E-03 0.250E-03
DAV: 34 -0.383445059168E+03 -0.21296E-04 -0.10756E-06 219 0.266E-03 0.198E-03
DAV: 35 -0.383445061176E+03 -0.20080E-05 -0.32706E-07 237 0.137E-03
1 F= -.38344506E+03 E0= -.38346203E+03 d E =0.509029E-01