./iterations/neb0_image06_iter1_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 0.151349617586E+04 0.15135E+04 -0.43542E+04 322 0.696E+02
DAV: 2 0.253645917019E+03 -0.12599E+04 -0.11811E+04 428 0.164E+02
DAV: 3 -0.359942446358E+03 -0.61359E+03 -0.61024E+03 356 0.118E+02
DAV: 4 -0.433011350931E+03 -0.73069E+02 -0.72810E+02 308 0.520E+01
DAV: 5 -0.434657885161E+03 -0.16465E+01 -0.16435E+01 332 0.798E+00 0.426E+01
DAV: 6 -0.388860173565E+03 0.45798E+02 -0.14843E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385385870838E+03 0.34743E+01 -0.12643E+01 340 0.785E+00 0.104E+01
DAV: 8 -0.383976923370E+03 0.14089E+01 -0.29433E+00 332 0.394E+00 0.427E+00
DAV: 9 -0.383406405542E+03 0.57052E+00 -0.67392E-01 332 0.207E+00 0.964E-01
DAV: 10 -0.383348155238E+03 0.58250E-01 -0.13266E-01 340 0.974E-01 0.691E-01
DAV: 11 -0.383324582667E+03 0.23573E-01 -0.32415E-02 316 0.458E-01 0.492E-01
DAV: 12 -0.383303871473E+03 0.20711E-01 -0.63855E-02 316 0.500E-01 0.526E-01
DAV: 13 -0.383296687017E+03 0.71845E-02 -0.46499E-02 340 0.339E-01 0.216E-01
DAV: 14 -0.383295610124E+03 0.10769E-02 -0.92013E-03 300 0.369E-01 0.152E-01
DAV: 15 -0.383304957378E+03 -0.93473E-02 -0.73440E-03 324 0.264E-01 0.119E-01
DAV: 16 -0.383316303700E+03 -0.11346E-01 -0.31795E-03 292 0.226E-01 0.735E-02
DAV: 17 -0.383327041351E+03 -0.10738E-01 -0.31800E-03 324 0.191E-01 0.626E-02
DAV: 18 -0.383333292640E+03 -0.62513E-02 -0.11583E-03 316 0.948E-02 0.445E-02
DAV: 19 -0.383337781317E+03 -0.44887E-02 -0.23032E-04 308 0.434E-02 0.255E-02
DAV: 20 -0.383344236853E+03 -0.64555E-02 -0.38240E-04 292 0.573E-02 0.206E-02
DAV: 21 -0.383346739879E+03 -0.25030E-02 -0.23233E-04 308 0.402E-02 0.132E-02
DAV: 22 -0.383348135293E+03 -0.13954E-02 -0.88587E-05 316 0.261E-02 0.104E-02
DAV: 23 -0.383348795555E+03 -0.66026E-03 -0.25803E-05 260 0.164E-02 0.638E-03
DAV: 24 -0.383349362241E+03 -0.56669E-03 -0.30775E-05 260 0.149E-02 0.593E-03
DAV: 25 -0.383349534975E+03 -0.17273E-03 -0.89346E-06 228 0.100E-02 0.312E-03
DAV: 26 -0.383349684323E+03 -0.14935E-03 -0.79723E-06 212 0.824E-03 0.255E-03
DAV: 27 -0.383349750922E+03 -0.66599E-04 -0.29686E-06 228 0.508E-03 0.161E-03
DAV: 28 -0.383349819181E+03 -0.68259E-04 -0.43600E-06 212 0.588E-03 0.194E-03
DAV: 29 -0.383349839134E+03 -0.19953E-04 -0.16074E-06 228 0.341E-03 0.123E-03
DAV: 30 -0.383349845907E+03 -0.67732E-05 -0.10108E-06 228 0.274E-03
1 F= -.38334985E+03 E0= -.38335828E+03 d E =0.253142E-01