iterations/neb0_image05_iter60_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 0.144563502052E+04 0.14456E+04 -0.44218E+04 330 0.697E+02
DAV: 2 0.230077701195E+03 -0.12156E+04 -0.11389E+04 417 0.163E+02
DAV: 3 -0.364116592614E+03 -0.59419E+03 -0.59106E+03 354 0.114E+02
DAV: 4 -0.432895644513E+03 -0.68779E+02 -0.68520E+02 309 0.496E+01
DAV: 5 -0.434456914270E+03 -0.15613E+01 -0.15584E+01 336 0.772E+00 0.426E+01
DAV: 6 -0.388668162142E+03 0.45789E+02 -0.14924E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385209949452E+03 0.34582E+01 -0.12941E+01 345 0.771E+00 0.104E+01
DAV: 8 -0.383739646675E+03 0.14703E+01 -0.18952E+00 327 0.378E+00 0.429E+00
DAV: 9 -0.383197512142E+03 0.54213E+00 -0.12832E+00 336 0.209E+00 0.102E+00
DAV: 10 -0.383133781612E+03 0.63731E-01 -0.10643E-01 336 0.891E-01 0.864E-01
DAV: 11 -0.383100538105E+03 0.33244E-01 -0.14948E-01 354 0.780E-01 0.834E-01
DAV: 12 -0.383078622945E+03 0.21915E-01 -0.16068E-01 327 0.519E-01 0.482E-01
DAV: 13 -0.383065118682E+03 0.13504E-01 -0.41375E-02 309 0.414E-01 0.459E-01
DAV: 14 -0.383059726241E+03 0.53924E-02 -0.21378E-02 309 0.344E-01 0.220E-01
DAV: 15 -0.383068927430E+03 -0.92012E-02 -0.70254E-03 309 0.275E-01 0.163E-01
DAV: 16 -0.383080458675E+03 -0.11531E-01 -0.54994E-03 300 0.219E-01 0.161E-01
DAV: 17 -0.383088008846E+03 -0.75502E-02 -0.23394E-03 336 0.148E-01 0.110E-01
DAV: 18 -0.383092452004E+03 -0.44432E-02 -0.70618E-04 336 0.693E-02 0.767E-02
DAV: 19 -0.383096234961E+03 -0.37830E-02 -0.22554E-04 363 0.482E-02 0.738E-02
DAV: 20 -0.383098201650E+03 -0.19667E-02 -0.20502E-04 354 0.377E-02 0.774E-02
DAV: 21 -0.383097893565E+03 0.30809E-03 -0.62558E-05 309 0.214E-02 0.797E-02
DAV: 22 -0.383098382664E+03 -0.48910E-03 -0.10729E-04 327 0.265E-02 0.855E-02
DAV: 23 -0.383104318621E+03 -0.59360E-02 -0.14250E-03 360 0.116E-01 0.466E-02
DAV: 24 -0.383106118001E+03 -0.17994E-02 -0.10318E-03 336 0.712E-02 0.529E-02
DAV: 25 -0.383107079060E+03 -0.96106E-03 -0.22833E-04 381 0.393E-02 0.558E-02
DAV: 26 -0.383107520800E+03 -0.44174E-03 -0.91252E-05 336 0.395E-02 0.468E-02
DAV: 27 -0.383109822268E+03 -0.23015E-02 -0.10628E-03 408 0.125E-01 0.606E-02
DAV: 28 -0.383109894722E+03 -0.72454E-04 -0.43905E-04 309 0.439E-02 0.646E-02
DAV: 29 -0.383109881281E+03 0.13441E-04 -0.40948E-05 318 0.107E-02 0.591E-02
DAV: 30 -0.383110804190E+03 -0.92291E-03 -0.34266E-05 282 0.125E-02 0.559E-02
DAV: 31 -0.383113205381E+03 -0.24012E-02 -0.21003E-03 390 0.150E-01 0.393E-02
DAV: 32 -0.383114172075E+03 -0.96669E-03 -0.17958E-03 336 0.954E-02 0.615E-02
DAV: 33 -0.383114382750E+03 -0.21068E-03 -0.41888E-04 372 0.469E-02 0.689E-02
DAV: 34 -0.383114302381E+03 0.80370E-04 -0.16040E-04 417 0.503E-02 0.752E-02
DAV: 35 -0.383114191560E+03 0.11082E-03 -0.15941E-04 327 0.282E-02 0.817E-02
DAV: 36 -0.383114044918E+03 0.14664E-03 -0.38619E-05 336 0.255E-02 0.881E-02
DAV: 37 -0.383114239826E+03 -0.19491E-03 -0.55958E-05 309 0.306E-02 0.847E-02
DAV: 38 -0.383114455787E+03 -0.21596E-03 -0.28389E-04 381 0.465E-02 0.613E-02
DAV: 39 -0.383114824724E+03 -0.36894E-03 -0.72844E-04 399 0.995E-02 0.364E-02
DAV: 40 -0.383115167470E+03 -0.34275E-03 -0.13610E-03 390 0.109E-01 0.276E-02
DAV: 41 -0.383115395013E+03 -0.22754E-03 -0.76232E-04 345 0.610E-02 0.412E-02
DAV: 42 -0.383115636901E+03 -0.24189E-03 -0.94315E-05 354 0.283E-02 0.475E-02
DAV: 43 -0.383115798702E+03 -0.16180E-03 -0.39776E-05 318 0.215E-02 0.484E-02
DAV: 44 -0.383116331577E+03 -0.53288E-03 -0.38700E-04 390 0.719E-02 0.691E-02
DAV: 45 -0.383116337358E+03 -0.57818E-05 -0.19564E-04 318 0.217E-02 0.783E-02
DAV: 46 -0.383116327666E+03 0.96929E-05 -0.33167E-06 246 0.352E-03
1 F= -.38311633E+03 E0= -.38312931E+03 d E =0.389562E-01