iterations/neb0_image02_iter10_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 0.161789846568E+04 0.16179E+04 -0.42272E+04 306 0.697E+02
DAV: 2 0.296793881271E+03 -0.13211E+04 -0.12438E+04 420 0.168E+02
DAV: 3 -0.358003648173E+03 -0.65480E+03 -0.65109E+03 364 0.123E+02
DAV: 4 -0.433478988577E+03 -0.75475E+02 -0.75162E+02 316 0.520E+01
DAV: 5 -0.435190759113E+03 -0.17118E+01 -0.17091E+01 332 0.798E+00 0.427E+01
DAV: 6 -0.389124593752E+03 0.46066E+02 -0.15035E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385605211599E+03 0.35194E+01 -0.12414E+01 340 0.768E+00 0.104E+01
DAV: 8 -0.384151275565E+03 0.14539E+01 -0.21774E+00 332 0.375E+00 0.428E+00
DAV: 9 -0.383598265424E+03 0.55301E+00 -0.11217E+00 324 0.207E+00 0.103E+00
DAV: 10 -0.383542784308E+03 0.55481E-01 -0.10496E-01 332 0.883E-01 0.765E-01
DAV: 11 -0.383505652710E+03 0.37132E-01 -0.73137E-02 340 0.684E-01 0.516E-01
DAV: 12 -0.383495645305E+03 0.10007E-01 -0.62440E-02 356 0.499E-01 0.722E-01
DAV: 13 -0.383489618690E+03 0.60266E-02 -0.10590E-01 348 0.354E-01 0.359E-01
DAV: 14 -0.383486246394E+03 0.33723E-02 -0.28016E-02 300 0.327E-01 0.325E-01
DAV: 15 -0.383490570087E+03 -0.43237E-02 -0.21484E-02 340 0.245E-01 0.228E-01
DAV: 16 -0.383494265828E+03 -0.36957E-02 -0.54292E-03 292 0.175E-01 0.126E-01
DAV: 17 -0.383507180181E+03 -0.12914E-01 -0.42528E-03 292 0.165E-01 0.110E-01
DAV: 18 -0.383516587291E+03 -0.94071E-02 -0.17439E-03 324 0.109E-01 0.773E-02
DAV: 19 -0.383525531096E+03 -0.89438E-02 -0.11406E-03 308 0.797E-02 0.390E-02
DAV: 20 -0.383531829218E+03 -0.62981E-02 -0.69957E-04 332 0.548E-02 0.433E-02
DAV: 21 -0.383537203504E+03 -0.53743E-02 -0.30727E-04 300 0.379E-02 0.255E-02
DAV: 22 -0.383541363863E+03 -0.41604E-02 -0.30185E-04 308 0.329E-02 0.311E-02
DAV: 23 -0.383542772161E+03 -0.14083E-02 -0.72153E-05 300 0.202E-02 0.112E-02
DAV: 24 -0.383543546263E+03 -0.77410E-03 -0.54071E-05 308 0.134E-02 0.115E-02
DAV: 25 -0.383543897018E+03 -0.35075E-03 -0.12765E-05 220 0.763E-03 0.539E-03
DAV: 26 -0.383544276347E+03 -0.37933E-03 -0.22379E-05 236 0.832E-03 0.411E-03
DAV: 27 -0.383544351839E+03 -0.75492E-04 -0.26790E-06 236 0.376E-03 0.220E-03
DAV: 28 -0.383544423746E+03 -0.71907E-04 -0.21286E-06 188 0.314E-03 0.130E-03
DAV: 29 -0.383544463953E+03 -0.40207E-04 -0.13325E-06 228 0.204E-03 0.164E-03
DAV: 30 -0.383544488757E+03 -0.24804E-04 -0.73911E-07 212 0.215E-03 0.739E-04
DAV: 31 -0.383544506329E+03 -0.17572E-04 -0.72060E-07 212 0.151E-03 0.874E-04
DAV: 32 -0.383544507551E+03 -0.12212E-05 -0.14507E-07 228 0.878E-04
1 F= -.38354451E+03 E0= -.38355758E+03 d E =0.392169E-01