iterations/neb0_image06_iter35_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 0.144161422059E+04 0.14416E+04 -0.44199E+04 330 0.697E+02
DAV: 2 0.236274718353E+03 -0.12053E+04 -0.11303E+04 408 0.163E+02
DAV: 3 -0.359798136238E+03 -0.59607E+03 -0.59245E+03 354 0.115E+02
DAV: 4 -0.430184899825E+03 -0.70387E+02 -0.70122E+02 309 0.502E+01
DAV: 5 -0.431807961510E+03 -0.16231E+01 -0.16196E+01 327 0.786E+00 0.424E+01
DAV: 6 -0.386619316593E+03 0.45189E+02 -0.14692E+02 309 0.285E+01 0.207E+01
DAV: 7 -0.383202710123E+03 0.34166E+01 -0.12210E+01 336 0.777E+00 0.103E+01
DAV: 8 -0.381773967765E+03 0.14287E+01 -0.25757E+00 327 0.390E+00 0.425E+00
DAV: 9 -0.381210781111E+03 0.56319E+00 -0.59107E-01 318 0.194E+00 0.962E-01
DAV: 10 -0.381138000177E+03 0.72781E-01 -0.14973E-01 327 0.102E+00 0.748E-01
DAV: 11 -0.381117412806E+03 0.20587E-01 -0.50469E-02 354 0.469E-01 0.635E-01
DAV: 12 -0.381104578020E+03 0.12835E-01 -0.23077E-01 345 0.533E-01 0.702E-01
DAV: 13 -0.381088434634E+03 0.16143E-01 -0.14758E-02 318 0.319E-01 0.597E-01
DAV: 14 -0.381080818117E+03 0.76165E-02 -0.27263E-02 327 0.368E-01 0.491E-01
DAV: 15 -0.381081608097E+03 -0.78998E-03 -0.15153E-02 363 0.294E-01 0.232E-01
DAV: 16 -0.381087123356E+03 -0.55153E-02 -0.76676E-03 300 0.173E-01 0.190E-01
DAV: 17 -0.381098349777E+03 -0.11226E-01 -0.64796E-03 291 0.188E-01 0.237E-01
DAV: 18 -0.381104636959E+03 -0.62872E-02 -0.66456E-03 309 0.166E-01 0.786E-02
DAV: 19 -0.381113489108E+03 -0.88521E-02 -0.19282E-03 318 0.112E-01 0.121E-01
DAV: 20 -0.381120344509E+03 -0.68554E-02 -0.16502E-03 309 0.632E-02 0.449E-02
DAV: 21 -0.381125299255E+03 -0.49547E-02 -0.40128E-04 327 0.448E-02 0.492E-02
DAV: 22 -0.381127738757E+03 -0.24395E-02 -0.18275E-04 327 0.266E-02 0.192E-02
DAV: 23 -0.381130497235E+03 -0.27585E-02 -0.14557E-04 282 0.220E-02 0.174E-02
DAV: 24 -0.381131826206E+03 -0.13290E-02 -0.10172E-04 291 0.154E-02 0.146E-02
DAV: 25 -0.381132487260E+03 -0.66105E-03 -0.61349E-05 237 0.122E-02 0.152E-02
DAV: 26 -0.381132792895E+03 -0.30563E-03 -0.22259E-05 219 0.716E-03 0.325E-03
DAV: 27 -0.381133010101E+03 -0.21721E-03 -0.97574E-06 228 0.551E-03 0.307E-03
DAV: 28 -0.381133108506E+03 -0.98405E-04 -0.32814E-06 219 0.353E-03 0.113E-03
DAV: 29 -0.381133162304E+03 -0.53798E-04 -0.18748E-06 219 0.265E-03 0.127E-03
DAV: 30 -0.381133188470E+03 -0.26166E-04 -0.10185E-06 219 0.181E-03 0.600E-04
DAV: 31 -0.381133205444E+03 -0.16975E-04 -0.64521E-07 219 0.150E-03 0.308E-04
DAV: 32 -0.381133213641E+03 -0.81968E-05 -0.39159E-07 219 0.110E-03
1 F= -.38113321E+03 E0= -.38114631E+03 d E =0.392826E-01