iterations/neb0_image09_iter48_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.374345005707E+03 0.37435E+03 -0.14278E+04 624 0.799E+02
DAV: 2 0.250642867708E+01 -0.37184E+03 -0.35945E+03 877 0.196E+02
DAV: 3 -0.966553564326E+02 -0.99162E+02 -0.98827E+02 656 0.117E+02
DAV: 4 -0.101196474512E+03 -0.45411E+01 -0.45319E+01 688 0.289E+01
DAV: 5 -0.101286874951E+03 -0.90400E-01 -0.90360E-01 736 0.369E+00 0.226E+01
DAV: 6 -0.926571803910E+02 0.86297E+01 -0.30831E+01 709 0.300E+01 0.119E+01
DAV: 7 -0.917964545047E+02 0.86073E+00 -0.17111E+00 728 0.616E+00 0.479E+00
DAV: 8 -0.914204712552E+02 0.37598E+00 -0.54737E-01 712 0.398E+00 0.163E+00
DAV: 9 -0.913379805845E+02 0.82491E-01 -0.12954E-01 701 0.154E+00 0.423E-01
DAV: 10 -0.913289848753E+02 0.89957E-02 -0.45469E-02 760 0.111E+00 0.303E-01
DAV: 11 -0.913337780566E+02 -0.47932E-02 -0.14102E-02 613 0.613E-01 0.160E-01
DAV: 12 -0.913365146627E+02 -0.27366E-02 -0.29370E-03 631 0.240E-01 0.111E-01
DAV: 13 -0.913404029449E+02 -0.38883E-02 -0.18943E-03 693 0.231E-01 0.459E-02
DAV: 14 -0.913437884776E+02 -0.33855E-02 -0.60482E-04 661 0.146E-01 0.284E-02
DAV: 15 -0.913451650694E+02 -0.13766E-02 -0.14524E-04 672 0.688E-02 0.299E-02
DAV: 16 -0.913464394298E+02 -0.12744E-02 -0.29628E-04 647 0.939E-02 0.183E-02
DAV: 17 -0.913467784119E+02 -0.33898E-03 -0.40476E-05 680 0.437E-02 0.135E-02
DAV: 18 -0.913469591825E+02 -0.18077E-03 -0.45138E-05 648 0.367E-02 0.116E-02
DAV: 19 -0.913470966751E+02 -0.13749E-03 -0.14838E-05 439 0.224E-02 0.446E-03
DAV: 20 -0.913471342807E+02 -0.37606E-04 -0.96852E-06 496 0.156E-02 0.202E-03
DAV: 21 -0.913471582271E+02 -0.23946E-04 -0.30129E-06 406 0.800E-03 0.125E-03
DAV: 22 -0.913471644176E+02 -0.61905E-05 -0.11423E-06 472 0.475E-03
1 F= -.91347164E+02 E0= -.91351883E+02 d E =0.141543E-01