iterations/neb0_image01_iter57_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 0.144766899737E+04 0.14477E+04 -0.44193E+04 330 0.697E+02
DAV: 2 0.227774102678E+03 -0.12199E+04 -0.11428E+04 426 0.163E+02
DAV: 3 -0.362956629244E+03 -0.59073E+03 -0.58733E+03 345 0.114E+02
DAV: 4 -0.433520965303E+03 -0.70564E+02 -0.70298E+02 318 0.512E+01
DAV: 5 -0.435104246857E+03 -0.15833E+01 -0.15809E+01 318 0.783E+00 0.426E+01
DAV: 6 -0.389091861774E+03 0.46012E+02 -0.14817E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385623311793E+03 0.34685E+01 -0.13414E+01 345 0.781E+00 0.104E+01
DAV: 8 -0.384156130654E+03 0.14672E+01 -0.22763E+00 336 0.384E+00 0.435E+00
DAV: 9 -0.383606329528E+03 0.54980E+00 -0.16033E+00 327 0.238E+00 0.125E+00
DAV: 10 -0.383528036416E+03 0.78293E-01 -0.15194E-01 318 0.107E+00 0.996E-01
DAV: 11 -0.383507386920E+03 0.20649E-01 -0.36539E-01 327 0.951E-01 0.738E-01
DAV: 12 -0.383482036180E+03 0.25351E-01 -0.38997E-02 318 0.509E-01 0.660E-01
DAV: 13 -0.383476908573E+03 0.51276E-02 -0.88146E-02 345 0.441E-01 0.625E-01
DAV: 14 -0.383459129187E+03 0.17779E-01 -0.15062E-02 318 0.396E-01 0.302E-01
DAV: 15 -0.383456953843E+03 0.21753E-02 -0.19715E-02 327 0.438E-01 0.301E-01
DAV: 16 -0.383461924233E+03 -0.49704E-02 -0.88436E-03 354 0.301E-01 0.338E-01
DAV: 17 -0.383465960768E+03 -0.40365E-02 -0.60492E-03 282 0.161E-01 0.228E-01
DAV: 18 -0.383467102466E+03 -0.11417E-02 -0.52898E-03 363 0.109E-01 0.197E-01
DAV: 19 -0.383478717543E+03 -0.11615E-01 -0.40085E-03 282 0.168E-01 0.198E-01
DAV: 20 -0.383485094518E+03 -0.63770E-02 -0.12504E-03 327 0.122E-01 0.771E-02
DAV: 21 -0.383490880102E+03 -0.57856E-02 -0.11462E-03 318 0.946E-02 0.117E-01
DAV: 22 -0.383497931525E+03 -0.70514E-02 -0.51962E-04 327 0.741E-02 0.590E-02
DAV: 23 -0.383501437256E+03 -0.35057E-02 -0.24058E-04 318 0.395E-02 0.357E-02
DAV: 24 -0.383504627762E+03 -0.31905E-02 -0.19810E-04 309 0.287E-02 0.258E-02
DAV: 25 -0.383506788687E+03 -0.21609E-02 -0.97638E-05 327 0.190E-02 0.163E-02
DAV: 26 -0.383508061519E+03 -0.12728E-02 -0.65895E-05 291 0.155E-02 0.251E-02
DAV: 27 -0.383508932520E+03 -0.87100E-03 -0.68344E-05 291 0.139E-02 0.931E-03
DAV: 28 -0.383509145962E+03 -0.21344E-03 -0.78999E-06 237 0.633E-03 0.103E-02
DAV: 29 -0.383509311241E+03 -0.16528E-03 -0.47551E-06 210 0.520E-03 0.366E-03
DAV: 30 -0.383509496155E+03 -0.18491E-03 -0.84457E-06 219 0.572E-03 0.354E-03
DAV: 31 -0.383509512294E+03 -0.16139E-04 -0.16333E-06 237 0.281E-03 0.278E-03
DAV: 32 -0.383509536758E+03 -0.24464E-04 -0.77759E-07 201 0.164E-03 0.268E-03
DAV: 33 -0.383509579750E+03 -0.42992E-04 -0.17757E-06 201 0.301E-03 0.130E-03
DAV: 34 -0.383509591356E+03 -0.11606E-04 -0.55807E-07 228 0.173E-03 0.122E-03
DAV: 35 -0.383509597049E+03 -0.56923E-05 -0.34072E-07 201 0.158E-03
1 F= -.38350960E+03 E0= -.38352611E+03 d E =0.495389E-01