iterations/neb0_image05_iter32_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 0.144954323454E+04 0.14495E+04 -0.44211E+04 330 0.697E+02
DAV: 2 0.231822296657E+03 -0.12177E+04 -0.11422E+04 417 0.163E+02
DAV: 3 -0.361244252288E+03 -0.59307E+03 -0.58986E+03 345 0.114E+02
DAV: 4 -0.433145245986E+03 -0.71901E+02 -0.71648E+02 318 0.515E+01
DAV: 5 -0.434785390040E+03 -0.16401E+01 -0.16375E+01 318 0.796E+00 0.426E+01
DAV: 6 -0.388971887320E+03 0.45814E+02 -0.14707E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385523300837E+03 0.34486E+01 -0.13364E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.384049570075E+03 0.14737E+01 -0.18923E+00 345 0.380E+00 0.428E+00
DAV: 9 -0.383515328605E+03 0.53424E+00 -0.81686E-01 336 0.210E+00 0.104E+00
DAV: 10 -0.383444122313E+03 0.71206E-01 -0.12438E-01 327 0.947E-01 0.847E-01
DAV: 11 -0.383416618342E+03 0.27504E-01 -0.58852E-02 336 0.629E-01 0.801E-01
DAV: 12 -0.383395133077E+03 0.21485E-01 -0.91848E-02 318 0.441E-01 0.495E-01
DAV: 13 -0.383381022078E+03 0.14111E-01 -0.35339E-02 309 0.410E-01 0.385E-01
DAV: 14 -0.383378259436E+03 0.27626E-02 -0.47414E-02 327 0.414E-01 0.676E-01
DAV: 15 -0.383374554990E+03 0.37044E-02 -0.44844E-02 318 0.292E-01 0.215E-01
DAV: 16 -0.383384604956E+03 -0.10050E-01 -0.86095E-03 300 0.291E-01 0.276E-01
DAV: 17 -0.383386605921E+03 -0.20010E-02 -0.41775E-03 327 0.149E-01 0.200E-01
DAV: 18 -0.383397209079E+03 -0.10603E-01 -0.53716E-03 282 0.162E-01 0.173E-01
DAV: 19 -0.383403482208E+03 -0.62731E-02 -0.18945E-03 327 0.130E-01 0.982E-02
DAV: 20 -0.383410940084E+03 -0.74579E-02 -0.82598E-04 309 0.863E-02 0.541E-02
DAV: 21 -0.383417600450E+03 -0.66604E-02 -0.39800E-04 336 0.632E-02 0.972E-02
DAV: 22 -0.383422392868E+03 -0.47924E-02 -0.37639E-04 300 0.514E-02 0.349E-02
DAV: 23 -0.383424629704E+03 -0.22368E-02 -0.12854E-04 318 0.272E-02 0.198E-02
DAV: 24 -0.383426230057E+03 -0.16004E-02 -0.57187E-05 300 0.153E-02 0.130E-02
DAV: 25 -0.383428015264E+03 -0.17852E-02 -0.92454E-05 282 0.164E-02 0.135E-02
DAV: 26 -0.383428459822E+03 -0.44456E-03 -0.13291E-05 246 0.918E-03 0.778E-03
DAV: 27 -0.383428872660E+03 -0.41284E-03 -0.21586E-05 228 0.866E-03 0.668E-03
DAV: 28 -0.383429038795E+03 -0.16613E-03 -0.45356E-06 219 0.544E-03 0.309E-03
DAV: 29 -0.383429122818E+03 -0.84022E-04 -0.33353E-06 228 0.390E-03 0.168E-03
DAV: 30 -0.383429172008E+03 -0.49190E-04 -0.16922E-06 201 0.272E-03 0.156E-03
DAV: 31 -0.383429198011E+03 -0.26003E-04 -0.89087E-07 228 0.199E-03 0.213E-03
DAV: 32 -0.383429216672E+03 -0.18661E-04 -0.87132E-07 210 0.190E-03 0.715E-04
DAV: 33 -0.383429222504E+03 -0.58321E-05 -0.32685E-07 228 0.121E-03
1 F= -.38342922E+03 E0= -.38344610E+03 d E =0.506338E-01