./iterations/neb0_image04_iter30_OSZICAR.out output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.151125019288E+04 0.15113E+04 -0.43533E+04 322 0.697E+02
DAV: 2 0.254311725067E+03 -0.12569E+04 -0.11801E+04 428 0.164E+02
DAV: 3 -0.354250285754E+03 -0.60856E+03 -0.60489E+03 348 0.118E+02
DAV: 4 -0.433104429838E+03 -0.78854E+02 -0.78511E+02 316 0.536E+01
DAV: 5 -0.434963647222E+03 -0.18592E+01 -0.18559E+01 340 0.831E+00 0.426E+01
DAV: 6 -0.389165011603E+03 0.45799E+02 -0.14845E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385707140864E+03 0.34579E+01 -0.12593E+01 340 0.779E+00 0.104E+01
DAV: 8 -0.384290341358E+03 0.14168E+01 -0.19989E+00 332 0.376E+00 0.427E+00
DAV: 9 -0.383760233149E+03 0.53011E+00 -0.19634E+00 332 0.229E+00 0.115E+00
DAV: 10 -0.383696086896E+03 0.64146E-01 -0.12526E-01 332 0.973E-01 0.849E-01
DAV: 11 -0.383660396820E+03 0.35690E-01 -0.10793E-01 332 0.796E-01 0.584E-01
DAV: 12 -0.383642272527E+03 0.18124E-01 -0.52118E-02 348 0.510E-01 0.410E-01
DAV: 13 -0.383633262031E+03 0.90105E-02 -0.17591E-02 340 0.350E-01 0.306E-01
DAV: 14 -0.383629939096E+03 0.33229E-02 -0.12773E-02 324 0.411E-01 0.191E-01
DAV: 15 -0.383632587206E+03 -0.26481E-02 -0.12030E-02 308 0.366E-01 0.150E-01
DAV: 16 -0.383642397799E+03 -0.98106E-02 -0.56617E-03 316 0.220E-01 0.135E-01
DAV: 17 -0.383650907518E+03 -0.85097E-02 -0.35560E-03 300 0.133E-01 0.974E-02
DAV: 18 -0.383661376793E+03 -0.10469E-01 -0.14120E-03 308 0.148E-01 0.187E-01
DAV: 19 -0.383662921962E+03 -0.15452E-02 -0.60617E-04 316 0.731E-02 0.402E-02
DAV: 20 -0.383671209910E+03 -0.82879E-02 -0.71028E-04 300 0.778E-02 0.552E-02
DAV: 21 -0.383673721375E+03 -0.25115E-02 -0.34873E-04 324 0.496E-02 0.238E-02
DAV: 22 -0.383676573400E+03 -0.28520E-02 -0.17736E-04 316 0.323E-02 0.158E-02
DAV: 23 -0.383678293509E+03 -0.17201E-02 -0.68538E-05 300 0.195E-02 0.987E-03
DAV: 24 -0.383679831729E+03 -0.15382E-02 -0.89483E-05 276 0.209E-02 0.170E-02
DAV: 25 -0.383680291666E+03 -0.45994E-03 -0.27045E-05 276 0.127E-02 0.116E-02
DAV: 26 -0.383680511433E+03 -0.21977E-03 -0.72695E-06 228 0.914E-03 0.464E-03
DAV: 27 -0.383680686813E+03 -0.17538E-03 -0.93593E-06 228 0.796E-03 0.282E-03
DAV: 28 -0.383680777354E+03 -0.90541E-04 -0.54025E-06 220 0.722E-03 0.149E-03
DAV: 29 -0.383680802200E+03 -0.24846E-04 -0.34370E-06 228 0.529E-03 0.158E-03
DAV: 30 -0.383680813774E+03 -0.11574E-04 -0.12454E-06 236 0.339E-03 0.113E-03
DAV: 31 -0.383680825356E+03 -0.11582E-04 -0.14583E-06 204 0.478E-03 0.123E-03
DAV: 32 -0.383680828091E+03 -0.27348E-05 -0.17222E-06 228 0.395E-03
1 F= -.38368083E+03 E0= -.38369513E+03 d E =0.429122E-01