iterations/neb0_image05_iter30_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 0.144954857375E+04 0.14495E+04 -0.44209E+04 330 0.697E+02
DAV: 2 0.231974414347E+03 -0.12176E+04 -0.11422E+04 417 0.163E+02
DAV: 3 -0.361146671889E+03 -0.59312E+03 -0.58992E+03 345 0.114E+02
DAV: 4 -0.433124543436E+03 -0.71978E+02 -0.71733E+02 309 0.515E+01
DAV: 5 -0.434773080225E+03 -0.16485E+01 -0.16457E+01 318 0.797E+00 0.426E+01
DAV: 6 -0.388974342359E+03 0.45799E+02 -0.14706E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385528585442E+03 0.34458E+01 -0.13356E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.384053705743E+03 0.14749E+01 -0.18987E+00 336 0.380E+00 0.428E+00
DAV: 9 -0.383518511501E+03 0.53519E+00 -0.71898E-01 336 0.213E+00 0.102E+00
DAV: 10 -0.383447730633E+03 0.70781E-01 -0.11596E-01 327 0.961E-01 0.908E-01
DAV: 11 -0.383429220944E+03 0.18510E-01 -0.15353E-01 327 0.716E-01 0.930E-01
DAV: 12 -0.383402135132E+03 0.27086E-01 -0.11739E-01 318 0.503E-01 0.706E-01
DAV: 13 -0.383393034664E+03 0.91005E-02 -0.51229E-02 345 0.340E-01 0.420E-01
DAV: 14 -0.383382628108E+03 0.10407E-01 -0.62042E-02 300 0.439E-01 0.541E-01
DAV: 15 -0.383378837129E+03 0.37910E-02 -0.15133E-02 327 0.281E-01 0.239E-01
DAV: 16 -0.383386996141E+03 -0.81590E-02 -0.92610E-03 291 0.263E-01 0.163E-01
DAV: 17 -0.383397568621E+03 -0.10572E-01 -0.48404E-03 300 0.196E-01 0.104E-01
DAV: 18 -0.383407757925E+03 -0.10189E-01 -0.25721E-03 318 0.138E-01 0.962E-02
DAV: 19 -0.383415290961E+03 -0.75330E-02 -0.94625E-04 336 0.870E-02 0.714E-02
DAV: 20 -0.383422997481E+03 -0.77065E-02 -0.70648E-04 327 0.595E-02 0.250E-02
DAV: 21 -0.383427656228E+03 -0.46587E-02 -0.20030E-04 309 0.315E-02 0.212E-02
DAV: 22 -0.383430820519E+03 -0.31643E-02 -0.13674E-04 300 0.205E-02 0.120E-02
DAV: 23 -0.383432992697E+03 -0.21722E-02 -0.11055E-04 291 0.178E-02 0.117E-02
DAV: 24 -0.383433785928E+03 -0.79323E-03 -0.28339E-05 255 0.916E-03 0.550E-03
DAV: 25 -0.383434245141E+03 -0.45921E-03 -0.19789E-05 219 0.767E-03 0.585E-03
DAV: 26 -0.383434452373E+03 -0.20723E-03 -0.69383E-06 219 0.510E-03 0.411E-03
DAV: 27 -0.383434539088E+03 -0.86715E-04 -0.41006E-06 228 0.408E-03 0.122E-03
DAV: 28 -0.383434578816E+03 -0.39728E-04 -0.17682E-06 201 0.270E-03 0.123E-03
DAV: 29 -0.383434598316E+03 -0.19499E-04 -0.88734E-07 228 0.162E-03 0.124E-03
DAV: 30 -0.383434612847E+03 -0.14531E-04 -0.48187E-07 219 0.124E-03 0.781E-04
DAV: 31 -0.383434623030E+03 -0.10183E-04 -0.42900E-07 201 0.114E-03 0.434E-04
DAV: 32 -0.383434626477E+03 -0.34472E-05 -0.15526E-07 228 0.760E-04
1 F= -.38343463E+03 E0= -.38345148E+03 d E =0.505574E-01