iterations/neb0_image01_iter32_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 0.144719585041E+04 0.14472E+04 -0.44193E+04 330 0.697E+02
DAV: 2 0.224119915123E+03 -0.12231E+04 -0.11460E+04 435 0.163E+02
DAV: 3 -0.363083917382E+03 -0.58720E+03 -0.58376E+03 345 0.114E+02
DAV: 4 -0.433512500935E+03 -0.70429E+02 -0.70153E+02 318 0.508E+01
DAV: 5 -0.435085227975E+03 -0.15727E+01 -0.15702E+01 318 0.779E+00 0.426E+01
DAV: 6 -0.389101628492E+03 0.45984E+02 -0.14809E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385629060691E+03 0.34726E+01 -0.13521E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.384151134330E+03 0.14779E+01 -0.20993E+00 327 0.382E+00 0.432E+00
DAV: 9 -0.383609214118E+03 0.54192E+00 -0.17229E+00 336 0.242E+00 0.138E+00
DAV: 10 -0.383542872782E+03 0.66341E-01 -0.33279E-01 318 0.114E+00 0.105E+00
DAV: 11 -0.383517719112E+03 0.25154E-01 -0.24656E-01 363 0.642E-01 0.991E-01
DAV: 12 -0.383493165223E+03 0.24554E-01 -0.24238E-01 327 0.698E-01 0.880E-01
DAV: 13 -0.383478180164E+03 0.14985E-01 -0.17126E-01 354 0.540E-01 0.722E-01
DAV: 14 -0.383464972168E+03 0.13208E-01 -0.29695E-02 354 0.394E-01 0.380E-01
DAV: 15 -0.383462491437E+03 0.24807E-02 -0.14308E-02 309 0.375E-01 0.255E-01
DAV: 16 -0.383468096546E+03 -0.56051E-02 -0.79343E-03 327 0.261E-01 0.204E-01
DAV: 17 -0.383475494410E+03 -0.73979E-02 -0.27957E-03 291 0.170E-01 0.165E-01
DAV: 18 -0.383483443871E+03 -0.79495E-02 -0.29889E-03 381 0.175E-01 0.141E-01
DAV: 19 -0.383492938801E+03 -0.94949E-02 -0.63174E-03 354 0.190E-01 0.228E-01
DAV: 20 -0.383492917911E+03 0.20890E-04 -0.14914E-03 327 0.896E-02 0.119E-01
DAV: 21 -0.383496514825E+03 -0.35969E-02 -0.60311E-04 309 0.555E-02 0.124E-01
DAV: 22 -0.383502163788E+03 -0.56490E-02 -0.57924E-04 309 0.619E-02 0.606E-02
DAV: 23 -0.383506445385E+03 -0.42816E-02 -0.24713E-04 336 0.404E-02 0.535E-02
DAV: 24 -0.383509593873E+03 -0.31485E-02 -0.14115E-04 300 0.285E-02 0.226E-02
DAV: 25 -0.383511653723E+03 -0.20598E-02 -0.12131E-04 327 0.228E-02 0.160E-02
DAV: 26 -0.383512543991E+03 -0.89027E-03 -0.36201E-05 309 0.140E-02 0.159E-02
DAV: 27 -0.383513177249E+03 -0.63326E-03 -0.18984E-05 246 0.948E-03 0.117E-02
DAV: 28 -0.383513731934E+03 -0.55468E-03 -0.36129E-05 291 0.116E-02 0.671E-03
DAV: 29 -0.383513968091E+03 -0.23616E-03 -0.88173E-06 228 0.696E-03 0.455E-03
DAV: 30 -0.383514035131E+03 -0.67039E-04 -0.32993E-06 237 0.372E-03 0.257E-03
DAV: 31 -0.383514093989E+03 -0.58858E-04 -0.19359E-06 201 0.303E-03 0.273E-03
DAV: 32 -0.383514146474E+03 -0.52486E-04 -0.20856E-06 210 0.280E-03 0.215E-03
DAV: 33 -0.383514163178E+03 -0.16704E-04 -0.80316E-07 228 0.214E-03 0.124E-03
DAV: 34 -0.383514173130E+03 -0.99511E-05 -0.69458E-07 201 0.184E-03
1 F= -.38351417E+03 E0= -.38353083E+03 d E =0.499852E-01