iterations/neb0_image08_iter64_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 0.144309812172E+04 0.14431E+04 -0.44167E+04 330 0.697E+02
DAV: 2 0.230329995340E+03 -0.12128E+04 -0.11368E+04 417 0.163E+02
DAV: 3 -0.360457224880E+03 -0.59079E+03 -0.58701E+03 363 0.114E+02
DAV: 4 -0.429009901351E+03 -0.68553E+02 -0.68247E+02 309 0.490E+01
DAV: 5 -0.430583347030E+03 -0.15734E+01 -0.15708E+01 345 0.763E+00 0.422E+01
DAV: 6 -0.385228862160E+03 0.45354E+02 -0.14980E+02 309 0.288E+01 0.206E+01
DAV: 7 -0.381904988282E+03 0.33239E+01 -0.12214E+01 336 0.770E+00 0.103E+01
DAV: 8 -0.380459777203E+03 0.14452E+01 -0.20645E+00 336 0.391E+00 0.426E+00
DAV: 9 -0.379897882859E+03 0.56189E+00 -0.62879E-01 327 0.192E+00 0.104E+00
DAV: 10 -0.379845776027E+03 0.52107E-01 -0.15400E-01 336 0.101E+00 0.128E+00
DAV: 11 -0.379822351285E+03 0.23425E-01 -0.65399E-02 336 0.592E-01 0.716E-01
DAV: 12 -0.379793296337E+03 0.29055E-01 -0.27751E-02 318 0.452E-01 0.461E-01
DAV: 13 -0.379783103394E+03 0.10193E-01 -0.21997E-02 363 0.414E-01 0.509E-01
DAV: 14 -0.379779274970E+03 0.38284E-02 -0.12071E-02 336 0.272E-01 0.199E-01
DAV: 15 -0.379785691024E+03 -0.64161E-02 -0.59429E-03 300 0.262E-01 0.221E-01
DAV: 16 -0.379794129838E+03 -0.84388E-02 -0.46355E-03 309 0.240E-01 0.114E-01
DAV: 17 -0.379804084398E+03 -0.99546E-02 -0.27685E-03 309 0.175E-01 0.828E-02
DAV: 18 -0.379813186393E+03 -0.91020E-02 -0.14294E-03 336 0.130E-01 0.606E-02
DAV: 19 -0.379817363504E+03 -0.41771E-02 -0.52324E-04 336 0.746E-02 0.476E-02
DAV: 20 -0.379822326584E+03 -0.49631E-02 -0.20818E-04 309 0.482E-02 0.336E-02
DAV: 21 -0.379828305459E+03 -0.59789E-02 -0.32854E-04 372 0.620E-02 0.240E-02
DAV: 22 -0.379830644087E+03 -0.23386E-02 -0.23451E-04 363 0.429E-02 0.209E-02
DAV: 23 -0.379832255887E+03 -0.16118E-02 -0.54882E-05 318 0.290E-02 0.120E-02
DAV: 24 -0.379833491685E+03 -0.12358E-02 -0.72828E-05 372 0.308E-02 0.816E-03
DAV: 25 -0.379833928388E+03 -0.43670E-03 -0.59147E-05 363 0.214E-02 0.700E-03
DAV: 26 -0.379834063688E+03 -0.13530E-03 -0.15079E-05 273 0.923E-03 0.956E-03
DAV: 27 -0.379834085447E+03 -0.21759E-04 -0.12034E-06 246 0.288E-03 0.889E-03
DAV: 28 -0.379834194887E+03 -0.10944E-03 -0.27803E-06 201 0.463E-03 0.454E-03
DAV: 29 -0.379834273526E+03 -0.78639E-04 -0.44695E-06 228 0.714E-03 0.427E-03
DAV: 30 -0.379834301725E+03 -0.28199E-04 -0.64502E-06 246 0.680E-03 0.162E-03
DAV: 31 -0.379834312282E+03 -0.10557E-04 -0.18026E-06 228 0.316E-03 0.126E-03
DAV: 32 -0.379834323209E+03 -0.10927E-04 -0.48923E-07 219 0.162E-03 0.936E-04
DAV: 33 -0.379834344265E+03 -0.21056E-04 -0.79583E-07 210 0.182E-03 0.779E-04
DAV: 34 -0.379834350311E+03 -0.60460E-05 -0.40427E-07 219 0.157E-03
1 F= -.37983435E+03 E0= -.37984963E+03 d E =0.458315E-01