iterations/neb0_image09_iter61_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 0.140295084129E+04 0.14030E+04 -0.43824E+04 330 0.697E+02
DAV: 2 0.219087555966E+03 -0.11839E+04 -0.11083E+04 417 0.161E+02
DAV: 3 -0.340417871031E+03 -0.55951E+03 -0.55377E+03 354 0.113E+02
DAV: 4 -0.414127357490E+03 -0.73709E+02 -0.73170E+02 309 0.498E+01
DAV: 5 -0.416117138959E+03 -0.19898E+01 -0.19848E+01 345 0.815E+00 0.403E+01
DAV: 6 -0.375560680129E+03 0.40556E+02 -0.16586E+02 309 0.287E+01 0.213E+01
DAV: 7 -0.372979408004E+03 0.25813E+01 -0.41318E+01 363 0.931E+00 0.124E+01
DAV: 8 -0.370987489275E+03 0.19919E+01 -0.15137E+01 426 0.563E+00 0.779E+00
DAV: 9 -0.370020832341E+03 0.96666E+00 -0.49438E+00 318 0.300E+00 0.246E+00
DAV: 10 -0.369810457662E+03 0.21037E+00 -0.76158E-01 327 0.149E+00 0.939E-01
DAV: 11 -0.369776774576E+03 0.33683E-01 -0.63208E-02 345 0.550E-01 0.625E-01
DAV: 12 -0.369752738901E+03 0.24036E-01 -0.18205E-02 336 0.391E-01 0.278E-01
DAV: 13 -0.369746608676E+03 0.61302E-02 -0.12620E-02 318 0.326E-01 0.179E-01
DAV: 14 -0.369756341335E+03 -0.97327E-02 -0.10642E-02 345 0.313E-01 0.139E-01
DAV: 15 -0.369768122482E+03 -0.11781E-01 -0.57457E-03 300 0.192E-01 0.102E-01
DAV: 16 -0.369777597381E+03 -0.94749E-02 -0.48422E-03 327 0.160E-01 0.636E-02
DAV: 17 -0.369782888932E+03 -0.52916E-02 -0.15674E-03 318 0.984E-02 0.442E-02
DAV: 18 -0.369790414505E+03 -0.75256E-02 -0.56847E-04 309 0.526E-02 0.274E-02
DAV: 19 -0.369796039738E+03 -0.56252E-02 -0.30297E-04 300 0.335E-02 0.175E-02
DAV: 20 -0.369799102349E+03 -0.30626E-02 -0.21193E-04 309 0.294E-02 0.143E-02
DAV: 21 -0.369800272610E+03 -0.11703E-02 -0.59085E-05 282 0.140E-02 0.827E-03
DAV: 22 -0.369801424292E+03 -0.11517E-02 -0.63731E-05 273 0.152E-02 0.717E-03
DAV: 23 -0.369801896806E+03 -0.47251E-03 -0.29155E-05 237 0.872E-03 0.452E-03
DAV: 24 -0.369802100619E+03 -0.20381E-03 -0.82307E-06 237 0.580E-03 0.217E-03
DAV: 25 -0.369802237487E+03 -0.13687E-03 -0.64805E-06 210 0.575E-03 0.237E-03
DAV: 26 -0.369802282332E+03 -0.44845E-04 -0.22004E-06 237 0.410E-03 0.167E-03
DAV: 27 -0.369802314753E+03 -0.32421E-04 -0.18961E-06 219 0.346E-03 0.128E-03
DAV: 28 -0.369802331142E+03 -0.16389E-04 -0.84725E-07 228 0.218E-03 0.645E-04
DAV: 29 -0.369802340466E+03 -0.93238E-05 -0.45811E-07 219 0.131E-03
1 F= -.36980234E+03 E0= -.36980621E+03 d E =0.115958E-01