iterations/neb0_image01_iter28_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 0.144719862914E+04 0.14472E+04 -0.44193E+04 330 0.697E+02
DAV: 2 0.224115836263E+03 -0.12231E+04 -0.11460E+04 435 0.163E+02
DAV: 3 -0.363082755068E+03 -0.58720E+03 -0.58376E+03 345 0.114E+02
DAV: 4 -0.433510902700E+03 -0.70428E+02 -0.70153E+02 318 0.508E+01
DAV: 5 -0.435083265613E+03 -0.15724E+01 -0.15699E+01 318 0.779E+00 0.426E+01
DAV: 6 -0.389102006729E+03 0.45981E+02 -0.14807E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385631091089E+03 0.34709E+01 -0.13590E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384152959651E+03 0.14781E+01 -0.21298E+00 327 0.383E+00 0.433E+00
DAV: 9 -0.383611295082E+03 0.54166E+00 -0.17573E+00 336 0.243E+00 0.137E+00
DAV: 10 -0.383538589297E+03 0.72706E-01 -0.25609E-01 318 0.113E+00 0.103E+00
DAV: 11 -0.383519631788E+03 0.18958E-01 -0.28704E-01 354 0.645E-01 0.993E-01
DAV: 12 -0.383494197952E+03 0.25434E-01 -0.24000E-01 327 0.704E-01 0.940E-01
DAV: 13 -0.383476693385E+03 0.17505E-01 -0.17984E-01 354 0.547E-01 0.664E-01
DAV: 14 -0.383464834640E+03 0.11859E-01 -0.19433E-02 345 0.378E-01 0.326E-01
DAV: 15 -0.383462096860E+03 0.27378E-02 -0.13955E-02 309 0.388E-01 0.192E-01
DAV: 16 -0.383467837274E+03 -0.57404E-02 -0.60417E-03 327 0.244E-01 0.195E-01
DAV: 17 -0.383475922508E+03 -0.80852E-02 -0.28465E-03 291 0.180E-01 0.160E-01
DAV: 18 -0.383482650978E+03 -0.67285E-02 -0.27601E-03 363 0.162E-01 0.124E-01
DAV: 19 -0.383491106973E+03 -0.84560E-02 -0.47770E-03 363 0.166E-01 0.170E-01
DAV: 20 -0.383492288561E+03 -0.11816E-02 -0.16551E-03 318 0.808E-02 0.904E-02
DAV: 21 -0.383497137220E+03 -0.48487E-02 -0.65321E-04 309 0.622E-02 0.101E-01
DAV: 22 -0.383501724594E+03 -0.45874E-02 -0.54615E-04 318 0.539E-02 0.399E-02
DAV: 23 -0.383505876087E+03 -0.41515E-02 -0.24903E-04 327 0.459E-02 0.583E-02
DAV: 24 -0.383509058848E+03 -0.31828E-02 -0.19799E-04 300 0.318E-02 0.290E-02
DAV: 25 -0.383511104960E+03 -0.20461E-02 -0.10273E-04 318 0.214E-02 0.230E-02
DAV: 26 -0.383512213264E+03 -0.11083E-02 -0.58217E-05 318 0.174E-02 0.108E-02
DAV: 27 -0.383513120280E+03 -0.90702E-03 -0.40868E-05 300 0.128E-02 0.131E-02
DAV: 28 -0.383513712117E+03 -0.59184E-03 -0.26035E-05 264 0.993E-03 0.698E-03
DAV: 29 -0.383513913881E+03 -0.20176E-03 -0.10999E-05 246 0.706E-03 0.403E-03
DAV: 30 -0.383514039298E+03 -0.12542E-03 -0.56359E-06 192 0.488E-03 0.272E-03
DAV: 31 -0.383514125793E+03 -0.86495E-04 -0.33857E-06 228 0.327E-03 0.201E-03
DAV: 32 -0.383514152436E+03 -0.26643E-04 -0.13385E-06 219 0.220E-03 0.123E-03
DAV: 33 -0.383514176264E+03 -0.23828E-04 -0.10534E-06 219 0.213E-03 0.139E-03
DAV: 34 -0.383514189339E+03 -0.13075E-04 -0.58561E-07 210 0.149E-03 0.114E-03
DAV: 35 -0.383514197262E+03 -0.79233E-05 -0.47770E-07 219 0.138E-03
1 F= -.38351420E+03 E0= -.38353086E+03 d E =0.500005E-01