iterations/neb0_image07_iter62_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 0.145353742859E+04 0.14535E+04 -0.44262E+04 330 0.697E+02
DAV: 2 0.232266330457E+03 -0.12213E+04 -0.11451E+04 417 0.163E+02
DAV: 3 -0.363792962422E+03 -0.59606E+03 -0.59264E+03 363 0.115E+02
DAV: 4 -0.432472469110E+03 -0.68680E+02 -0.68420E+02 309 0.493E+01
DAV: 5 -0.433984074933E+03 -0.15116E+01 -0.15090E+01 327 0.757E+00 0.430E+01
DAV: 6 -0.387403776852E+03 0.46580E+02 -0.15115E+02 309 0.289E+01 0.211E+01
DAV: 7 -0.383911708930E+03 0.34921E+01 -0.13165E+01 336 0.786E+00 0.104E+01
DAV: 8 -0.382470867574E+03 0.14408E+01 -0.17947E+00 336 0.371E+00 0.434E+00
DAV: 9 -0.381905247100E+03 0.56562E+00 -0.77192E-01 327 0.209E+00 0.145E+00
DAV: 10 -0.381862050558E+03 0.43197E-01 -0.43985E-01 372 0.105E+00 0.799E-01
DAV: 11 -0.381828621209E+03 0.33429E-01 -0.45089E-02 327 0.520E-01 0.621E-01
DAV: 12 -0.381797585257E+03 0.31036E-01 -0.25898E-02 363 0.511E-01 0.533E-01
DAV: 13 -0.381786869388E+03 0.10716E-01 -0.12912E-02 363 0.360E-01 0.271E-01
DAV: 14 -0.381785507195E+03 0.13622E-02 -0.33292E-02 300 0.372E-01 0.672E-01
DAV: 15 -0.381783936870E+03 0.15703E-02 -0.58309E-02 372 0.302E-01 0.360E-01
DAV: 16 -0.381790768761E+03 -0.68319E-02 -0.48783E-03 291 0.215E-01 0.328E-01
DAV: 17 -0.381798814889E+03 -0.80461E-02 -0.42406E-03 318 0.238E-01 0.968E-02
DAV: 18 -0.381811513991E+03 -0.12699E-01 -0.63425E-03 345 0.213E-01 0.357E-01
DAV: 19 -0.381816999106E+03 -0.54851E-02 -0.53474E-03 345 0.132E-01 0.715E-02
DAV: 20 -0.381820746665E+03 -0.37476E-02 -0.44577E-04 318 0.529E-02 0.418E-02
DAV: 21 -0.381825986272E+03 -0.52396E-02 -0.31618E-04 282 0.388E-02 0.280E-02
DAV: 22 -0.381830759074E+03 -0.47728E-02 -0.23525E-04 318 0.321E-02 0.186E-02
DAV: 23 -0.381832955150E+03 -0.21961E-02 -0.99843E-05 327 0.201E-02 0.227E-02
DAV: 24 -0.381834739482E+03 -0.17843E-02 -0.91939E-05 300 0.185E-02 0.236E-02
DAV: 25 -0.381835286337E+03 -0.54685E-03 -0.17637E-05 246 0.943E-03 0.114E-02
DAV: 26 -0.381835726308E+03 -0.43997E-03 -0.24555E-05 264 0.944E-03 0.496E-03
DAV: 27 -0.381835937028E+03 -0.21072E-03 -0.56399E-06 219 0.568E-03 0.435E-03
DAV: 28 -0.381836029669E+03 -0.92641E-04 -0.28527E-06 228 0.371E-03 0.511E-03
DAV: 29 -0.381836100745E+03 -0.71076E-04 -0.25365E-06 210 0.374E-03 0.118E-03
DAV: 30 -0.381836144994E+03 -0.44249E-04 -0.19807E-06 228 0.293E-03 0.301E-03
DAV: 31 -0.381836161610E+03 -0.16616E-04 -0.95486E-07 210 0.212E-03 0.967E-04
DAV: 32 -0.381836168599E+03 -0.69896E-05 -0.48532E-07 228 0.147E-03
1 F= -.38183617E+03 E0= -.38185331E+03 d E =0.514348E-01