iterations/neb0_image04_iter36_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 0.144621794274E+04 0.14462E+04 -0.44209E+04 330 0.697E+02
DAV: 2 0.231186824918E+03 -0.12150E+04 -0.11375E+04 417 0.163E+02
DAV: 3 -0.363636317160E+03 -0.59482E+03 -0.59159E+03 354 0.114E+02
DAV: 4 -0.432825823382E+03 -0.69190E+02 -0.68934E+02 309 0.497E+01
DAV: 5 -0.434403621748E+03 -0.15778E+01 -0.15756E+01 345 0.772E+00 0.426E+01
DAV: 6 -0.388608392935E+03 0.45795E+02 -0.14954E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385162117926E+03 0.34463E+01 -0.13072E+01 345 0.778E+00 0.104E+01
DAV: 8 -0.383681394793E+03 0.14807E+01 -0.20556E+00 327 0.381E+00 0.428E+00
DAV: 9 -0.383141702382E+03 0.53969E+00 -0.69176E-01 336 0.213E+00 0.105E+00
DAV: 10 -0.383066203120E+03 0.75499E-01 -0.11812E-01 318 0.919E-01 0.987E-01
DAV: 11 -0.383059063319E+03 0.71398E-02 -0.42506E-01 363 0.806E-01 0.112E+00
DAV: 12 -0.383028591870E+03 0.30471E-01 -0.16148E-01 354 0.560E-01 0.954E-01
DAV: 13 -0.383013046666E+03 0.15545E-01 -0.21023E-02 345 0.355E-01 0.660E-01
DAV: 14 -0.383001827325E+03 0.11219E-01 -0.21539E-02 345 0.377E-01 0.393E-01
DAV: 15 -0.382998134898E+03 0.36924E-02 -0.13824E-02 327 0.355E-01 0.276E-01
DAV: 16 -0.383001800946E+03 -0.36660E-02 -0.83691E-03 318 0.245E-01 0.221E-01
DAV: 17 -0.383008482439E+03 -0.66815E-02 -0.47406E-03 291 0.160E-01 0.169E-01
DAV: 18 -0.383020593950E+03 -0.12112E-01 -0.45583E-03 300 0.198E-01 0.120E-01
DAV: 19 -0.383028608040E+03 -0.80141E-02 -0.24068E-03 336 0.121E-01 0.747E-02
DAV: 20 -0.383035776137E+03 -0.71681E-02 -0.58657E-04 318 0.715E-02 0.448E-02
DAV: 21 -0.383042432488E+03 -0.66564E-02 -0.35760E-04 300 0.455E-02 0.353E-02
DAV: 22 -0.383046314149E+03 -0.38817E-02 -0.22358E-04 336 0.329E-02 0.222E-02
DAV: 23 -0.383050474887E+03 -0.41607E-02 -0.25845E-04 288 0.298E-02 0.155E-02
DAV: 24 -0.383051447430E+03 -0.97254E-03 -0.34333E-05 282 0.122E-02 0.759E-03
DAV: 25 -0.383052735525E+03 -0.12881E-02 -0.84011E-05 282 0.159E-02 0.108E-02
DAV: 26 -0.383052979178E+03 -0.24365E-03 -0.58204E-06 237 0.657E-03 0.586E-03
DAV: 27 -0.383053249294E+03 -0.27012E-03 -0.14505E-05 219 0.845E-03 0.350E-03
DAV: 28 -0.383053318462E+03 -0.69168E-04 -0.19938E-06 228 0.380E-03 0.286E-03
DAV: 29 -0.383053373410E+03 -0.54948E-04 -0.14624E-06 201 0.274E-03 0.173E-03
DAV: 30 -0.383053432439E+03 -0.59029E-04 -0.18789E-06 201 0.282E-03 0.123E-03
DAV: 31 -0.383053448008E+03 -0.15569E-04 -0.60295E-07 228 0.161E-03 0.715E-04
DAV: 32 -0.383053460951E+03 -0.12943E-04 -0.45888E-07 210 0.138E-03 0.516E-04
DAV: 33 -0.383053466580E+03 -0.56291E-05 -0.24220E-07 219 0.106E-03
1 F= -.38305347E+03 E0= -.38307006E+03 d E =0.497771E-01