iterations/neb0_image05_iter16_OSZICAR.out output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.161970924457E+04 0.16197E+04 -0.42284E+04 306 0.697E+02
DAV: 2 0.300139437812E+03 -0.13196E+04 -0.12416E+04 420 0.168E+02
DAV: 3 -0.358390190558E+03 -0.65853E+03 -0.65500E+03 364 0.123E+02
DAV: 4 -0.433366485854E+03 -0.74976E+02 -0.74699E+02 308 0.528E+01
DAV: 5 -0.435031341327E+03 -0.16649E+01 -0.16622E+01 332 0.807E+00 0.427E+01
DAV: 6 -0.389010343401E+03 0.46021E+02 -0.14969E+02 324 0.286E+01 0.208E+01
DAV: 7 -0.385515285168E+03 0.34951E+01 -0.12729E+01 340 0.772E+00 0.104E+01
DAV: 8 -0.384093267220E+03 0.14220E+01 -0.27014E+00 332 0.389E+00 0.434E+00
DAV: 9 -0.383540048899E+03 0.55322E+00 -0.91769E-01 324 0.205E+00 0.114E+00
DAV: 10 -0.383471034853E+03 0.69014E-01 -0.25043E-01 340 0.100E+00 0.871E-01
DAV: 11 -0.383445518319E+03 0.25517E-01 -0.42647E-02 316 0.509E-01 0.592E-01
DAV: 12 -0.383429343773E+03 0.16175E-01 -0.11831E-01 316 0.495E-01 0.458E-01
DAV: 13 -0.383420788430E+03 0.85553E-02 -0.15096E-02 308 0.334E-01 0.418E-01
DAV: 14 -0.383421491004E+03 -0.70257E-03 -0.65010E-02 316 0.386E-01 0.485E-01
DAV: 15 -0.383425544064E+03 -0.40531E-02 -0.29461E-02 356 0.289E-01 0.408E-01
DAV: 16 -0.383429376438E+03 -0.38324E-02 -0.47201E-03 292 0.173E-01 0.152E-01
DAV: 17 -0.383437029537E+03 -0.76531E-02 -0.17929E-03 292 0.108E-01 0.979E-02
DAV: 18 -0.383449822467E+03 -0.12793E-01 -0.31109E-03 284 0.141E-01 0.945E-02
DAV: 19 -0.383457626846E+03 -0.78044E-02 -0.17466E-03 308 0.110E-01 0.769E-02
DAV: 20 -0.383465190548E+03 -0.75637E-02 -0.61276E-04 300 0.570E-02 0.454E-02
DAV: 21 -0.383470696578E+03 -0.55060E-02 -0.36822E-04 332 0.444E-02 0.221E-02
DAV: 22 -0.383473226248E+03 -0.25297E-02 -0.15394E-04 348 0.289E-02 0.224E-02
DAV: 23 -0.383476017724E+03 -0.27915E-02 -0.14949E-04 292 0.224E-02 0.181E-02
DAV: 24 -0.383476808378E+03 -0.79065E-03 -0.43323E-05 300 0.122E-02 0.132E-02
DAV: 25 -0.383477223719E+03 -0.41534E-03 -0.15381E-05 220 0.103E-02 0.630E-03
DAV: 26 -0.383477573640E+03 -0.34992E-03 -0.16050E-05 220 0.786E-03 0.459E-03
DAV: 27 -0.383477746912E+03 -0.17327E-03 -0.52886E-06 228 0.559E-03 0.536E-03
DAV: 28 -0.383477842620E+03 -0.95708E-04 -0.51633E-06 212 0.542E-03 0.369E-03
DAV: 29 -0.383477872605E+03 -0.29985E-04 -0.14841E-06 228 0.294E-03 0.152E-03
DAV: 30 -0.383477895594E+03 -0.22989E-04 -0.11235E-06 212 0.228E-03 0.118E-03
DAV: 31 -0.383477917309E+03 -0.21715E-04 -0.67431E-07 220 0.161E-03 0.633E-04
DAV: 32 -0.383477926933E+03 -0.96237E-05 -0.40597E-07 228 0.129E-03
1 F= -.38347793E+03 E0= -.38349110E+03 d E =0.395166E-01