iterations/neb0_image05_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 0.144863179754E+04 0.14486E+04 -0.44220E+04 330 0.697E+02
DAV: 2 0.231142959269E+03 -0.12175E+04 -0.11404E+04 417 0.163E+02
DAV: 3 -0.361550201885E+03 -0.59269E+03 -0.58949E+03 345 0.114E+02
DAV: 4 -0.433019270147E+03 -0.71469E+02 -0.71222E+02 309 0.514E+01
DAV: 5 -0.434673530785E+03 -0.16543E+01 -0.16513E+01 327 0.797E+00 0.426E+01
DAV: 6 -0.388806198679E+03 0.45867E+02 -0.14735E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385347112486E+03 0.34591E+01 -0.13383E+01 345 0.783E+00 0.104E+01
DAV: 8 -0.383892924965E+03 0.14542E+01 -0.22153E+00 327 0.384E+00 0.432E+00
DAV: 9 -0.383336734398E+03 0.55619E+00 -0.12657E+00 345 0.229E+00 0.119E+00
DAV: 10 -0.383283835091E+03 0.52899E-01 -0.36480E-01 336 0.108E+00 0.942E-01
DAV: 11 -0.383246843621E+03 0.36991E-01 -0.71376E-02 345 0.573E-01 0.751E-01
DAV: 12 -0.383225408845E+03 0.21435E-01 -0.67636E-02 354 0.695E-01 0.901E-01
DAV: 13 -0.383208364957E+03 0.17044E-01 -0.25632E-02 363 0.457E-01 0.528E-01
DAV: 14 -0.383202516701E+03 0.58483E-02 -0.39603E-02 309 0.360E-01 0.551E-01
DAV: 15 -0.383200461695E+03 0.20550E-02 -0.18965E-02 354 0.305E-01 0.400E-01
DAV: 16 -0.383201806135E+03 -0.13444E-02 -0.11391E-02 309 0.279E-01 0.193E-01
DAV: 17 -0.383209241787E+03 -0.74357E-02 -0.39290E-03 309 0.180E-01 0.174E-01
DAV: 18 -0.383220721070E+03 -0.11479E-01 -0.24838E-03 300 0.164E-01 0.931E-02
DAV: 19 -0.383230014856E+03 -0.92938E-02 -0.19233E-03 309 0.132E-01 0.512E-02
DAV: 20 -0.383236581025E+03 -0.65662E-02 -0.78962E-04 336 0.761E-02 0.454E-02
DAV: 21 -0.383240741161E+03 -0.41601E-02 -0.17464E-04 309 0.289E-02 0.402E-02
DAV: 22 -0.383246688141E+03 -0.59470E-02 -0.35672E-04 291 0.368E-02 0.144E-02
DAV: 23 -0.383249362760E+03 -0.26746E-02 -0.13903E-04 318 0.232E-02 0.202E-02
DAV: 24 -0.383250720029E+03 -0.13573E-02 -0.54723E-05 282 0.159E-02 0.111E-02
DAV: 25 -0.383251710694E+03 -0.99066E-03 -0.54650E-05 300 0.132E-02 0.872E-03
DAV: 26 -0.383251973887E+03 -0.26319E-03 -0.63464E-06 237 0.717E-03 0.658E-03
DAV: 27 -0.383252190088E+03 -0.21620E-03 -0.10872E-05 210 0.784E-03 0.542E-03
DAV: 28 -0.383252247272E+03 -0.57184E-04 -0.18515E-06 228 0.387E-03 0.292E-03
DAV: 29 -0.383252322878E+03 -0.75606E-04 -0.27419E-06 192 0.457E-03 0.154E-03
DAV: 30 -0.383252364363E+03 -0.41485E-04 -0.14135E-06 219 0.257E-03 0.124E-03
DAV: 31 -0.383252385513E+03 -0.21149E-04 -0.72162E-07 210 0.190E-03 0.975E-04
DAV: 32 -0.383252398258E+03 -0.12745E-04 -0.57696E-07 219 0.179E-03 0.619E-04
DAV: 33 -0.383252405966E+03 -0.77078E-05 -0.27479E-07 219 0.113E-03
1 F= -.38325241E+03 E0= -.38326902E+03 d E =0.498392E-01