iterations/neb0_image07_iter44_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 0.144093298483E+04 0.14409E+04 -0.44197E+04 330 0.697E+02
DAV: 2 0.237191768407E+03 -0.12037E+04 -0.11291E+04 408 0.163E+02
DAV: 3 -0.362969705298E+03 -0.60016E+03 -0.59607E+03 372 0.115E+02
DAV: 4 -0.429757060023E+03 -0.66787E+02 -0.66541E+02 309 0.473E+01
DAV: 5 -0.431224446162E+03 -0.14674E+01 -0.14640E+01 327 0.736E+00 0.423E+01
DAV: 6 -0.386191722180E+03 0.45033E+02 -0.14786E+02 309 0.286E+01 0.207E+01
DAV: 7 -0.382856287169E+03 0.33354E+01 -0.12230E+01 345 0.771E+00 0.103E+01
DAV: 8 -0.381370895500E+03 0.14854E+01 -0.19471E+00 327 0.391E+00 0.430E+00
DAV: 9 -0.380850761131E+03 0.52013E+00 -0.14145E+00 327 0.211E+00 0.112E+00
DAV: 10 -0.380779800832E+03 0.70960E-01 -0.19374E-01 327 0.101E+00 0.882E-01
DAV: 11 -0.380753355890E+03 0.26445E-01 -0.93060E-02 318 0.598E-01 0.760E-01
DAV: 12 -0.380728644188E+03 0.24712E-01 -0.73551E-02 354 0.667E-01 0.100E+00
DAV: 13 -0.380713372868E+03 0.15271E-01 -0.22567E-01 354 0.493E-01 0.404E-01
DAV: 14 -0.380703170188E+03 0.10203E-01 -0.18506E-02 309 0.412E-01 0.391E-01
DAV: 15 -0.380704395520E+03 -0.12253E-02 -0.12090E-02 318 0.276E-01 0.212E-01
DAV: 16 -0.380714617086E+03 -0.10222E-01 -0.42433E-03 300 0.228E-01 0.150E-01
DAV: 17 -0.380728209929E+03 -0.13593E-01 -0.78922E-03 309 0.233E-01 0.170E-01
DAV: 18 -0.380734878569E+03 -0.66686E-02 -0.19320E-03 327 0.127E-01 0.713E-02
DAV: 19 -0.380739367190E+03 -0.44886E-02 -0.33831E-04 300 0.447E-02 0.591E-02
DAV: 20 -0.380747806134E+03 -0.84389E-02 -0.75293E-04 300 0.543E-02 0.216E-02
DAV: 21 -0.380751897289E+03 -0.40912E-02 -0.32109E-04 345 0.338E-02 0.404E-02
DAV: 22 -0.380753206704E+03 -0.13094E-02 -0.78707E-05 327 0.208E-02 0.165E-02
DAV: 23 -0.380755229666E+03 -0.20230E-02 -0.10524E-04 291 0.194E-02 0.113E-02
DAV: 24 -0.380755797581E+03 -0.56791E-03 -0.20615E-05 255 0.841E-03 0.812E-03
DAV: 25 -0.380756384697E+03 -0.58712E-03 -0.27581E-05 264 0.105E-02 0.442E-03
DAV: 26 -0.380756570631E+03 -0.18593E-03 -0.52839E-06 237 0.560E-03 0.285E-03
DAV: 27 -0.380756721421E+03 -0.15079E-03 -0.47039E-06 201 0.453E-03 0.150E-03
DAV: 28 -0.380756796116E+03 -0.74696E-04 -0.23596E-06 219 0.291E-03 0.149E-03
DAV: 29 -0.380756838882E+03 -0.42766E-04 -0.17730E-06 219 0.343E-03 0.154E-03
DAV: 30 -0.380756858193E+03 -0.19311E-04 -0.92934E-07 210 0.189E-03 0.820E-04
DAV: 31 -0.380756864275E+03 -0.60828E-05 -0.36653E-07 228 0.139E-03
1 F= -.38075686E+03 E0= -.38077035E+03 d E =0.404599E-01