iterations/neb0_image06_iter46_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 0.143602892443E+04 0.14360E+04 -0.44157E+04 330 0.697E+02
DAV: 2 0.233744167039E+03 -0.12023E+04 -0.11267E+04 408 0.162E+02
DAV: 3 -0.364408243518E+03 -0.59815E+03 -0.59455E+03 372 0.115E+02
DAV: 4 -0.430198574194E+03 -0.65790E+02 -0.65570E+02 309 0.470E+01
DAV: 5 -0.431651771843E+03 -0.14532E+01 -0.14507E+01 336 0.729E+00 0.421E+01
DAV: 6 -0.386874069149E+03 0.44778E+02 -0.14937E+02 309 0.287E+01 0.206E+01
DAV: 7 -0.383620133537E+03 0.32539E+01 -0.12523E+01 345 0.767E+00 0.103E+01
DAV: 8 -0.382178974204E+03 0.14412E+01 -0.27152E+00 336 0.395E+00 0.442E+00
DAV: 9 -0.381619754032E+03 0.55922E+00 -0.12800E+00 327 0.238E+00 0.134E+00
DAV: 10 -0.381558372748E+03 0.61381E-01 -0.60776E-01 327 0.120E+00 0.977E-01
DAV: 11 -0.381517481920E+03 0.40891E-01 -0.87051E-02 336 0.596E-01 0.785E-01
DAV: 12 -0.381508696352E+03 0.87856E-02 -0.20501E-01 345 0.518E-01 0.929E-01
DAV: 13 -0.381491778390E+03 0.16918E-01 -0.19217E-01 363 0.546E-01 0.907E-01
DAV: 14 -0.381480714031E+03 0.11064E-01 -0.10166E-01 372 0.384E-01 0.594E-01
DAV: 15 -0.381475074896E+03 0.56391E-02 -0.22026E-02 318 0.406E-01 0.540E-01
DAV: 16 -0.381473768089E+03 0.13068E-02 -0.24932E-02 309 0.323E-01 0.243E-01
DAV: 17 -0.381480541617E+03 -0.67735E-02 -0.45272E-03 336 0.200E-01 0.175E-01
DAV: 18 -0.381492046142E+03 -0.11505E-01 -0.49970E-03 300 0.189E-01 0.221E-01
DAV: 19 -0.381500800749E+03 -0.87546E-02 -0.36767E-03 309 0.162E-01 0.116E-01
DAV: 20 -0.381506668384E+03 -0.58676E-02 -0.11535E-03 336 0.909E-02 0.811E-02
DAV: 21 -0.381512257217E+03 -0.55888E-02 -0.89191E-04 345 0.514E-02 0.828E-02
DAV: 22 -0.381517136070E+03 -0.48789E-02 -0.27864E-04 318 0.366E-02 0.458E-02
DAV: 23 -0.381519302203E+03 -0.21661E-02 -0.11285E-04 345 0.247E-02 0.261E-02
DAV: 24 -0.381522179335E+03 -0.28771E-02 -0.15439E-04 291 0.243E-02 0.119E-02
DAV: 25 -0.381523589015E+03 -0.14097E-02 -0.71757E-05 327 0.167E-02 0.147E-02
DAV: 26 -0.381524253652E+03 -0.66464E-03 -0.54884E-05 291 0.150E-02 0.164E-02
DAV: 27 -0.381524472529E+03 -0.21888E-03 -0.67474E-06 228 0.779E-03 0.146E-02
DAV: 28 -0.381524644544E+03 -0.17201E-03 -0.79082E-06 219 0.539E-03 0.678E-03
DAV: 29 -0.381524794852E+03 -0.15031E-03 -0.39990E-06 219 0.392E-03 0.283E-03
DAV: 30 -0.381524864726E+03 -0.69874E-04 -0.21616E-06 219 0.284E-03 0.189E-03
DAV: 31 -0.381524920509E+03 -0.55783E-04 -0.17478E-06 210 0.242E-03 0.914E-04
DAV: 32 -0.381524943653E+03 -0.23144E-04 -0.94168E-07 219 0.177E-03 0.102E-03
DAV: 33 -0.381524952939E+03 -0.92869E-05 -0.45294E-07 219 0.123E-03
1 F= -.38152495E+03 E0= -.38154215E+03 d E =0.515998E-01