iterations/neb0_image08_iter161_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 0.373771126235E+03 0.37377E+03 -0.14278E+04 624 0.799E+02
DAV: 2 0.364337497418E+01 -0.37013E+03 -0.35801E+03 866 0.196E+02
DAV: 3 -0.966503213018E+02 -0.10029E+03 -0.99987E+02 669 0.117E+02
DAV: 4 -0.101219103264E+03 -0.45688E+01 -0.45552E+01 720 0.284E+01
DAV: 5 -0.101309326739E+03 -0.90223E-01 -0.90167E-01 712 0.361E+00 0.227E+01
DAV: 6 -0.926359150872E+02 0.86734E+01 -0.31037E+01 728 0.301E+01 0.119E+01
DAV: 7 -0.917768958089E+02 0.85902E+00 -0.17391E+00 712 0.615E+00 0.479E+00
DAV: 8 -0.914030177541E+02 0.37388E+00 -0.53801E-01 720 0.393E+00 0.163E+00
DAV: 9 -0.913217565402E+02 0.81261E-01 -0.13204E-01 712 0.156E+00 0.421E-01
DAV: 10 -0.913137039615E+02 0.80526E-02 -0.44152E-02 776 0.110E+00 0.297E-01
DAV: 11 -0.913182208829E+02 -0.45169E-02 -0.12276E-02 608 0.582E-01 0.135E-01
DAV: 12 -0.913211915107E+02 -0.29706E-02 -0.27096E-03 633 0.249E-01 0.105E-01
DAV: 13 -0.913245879354E+02 -0.33964E-02 -0.13039E-03 642 0.192E-01 0.448E-02
DAV: 14 -0.913277373045E+02 -0.31494E-02 -0.66067E-04 672 0.157E-01 0.325E-02
DAV: 15 -0.913292067337E+02 -0.14694E-02 -0.18022E-04 696 0.822E-02 0.358E-02
DAV: 16 -0.913305336536E+02 -0.13269E-02 -0.31041E-04 656 0.909E-02 0.148E-02
DAV: 17 -0.913309983104E+02 -0.46466E-03 -0.46165E-05 608 0.415E-02 0.139E-02
DAV: 18 -0.913312305910E+02 -0.23228E-03 -0.51779E-05 648 0.391E-02 0.117E-02
DAV: 19 -0.913313020975E+02 -0.71507E-04 -0.12744E-05 488 0.235E-02 0.454E-03
DAV: 20 -0.913313333000E+02 -0.31203E-04 -0.65100E-06 448 0.132E-02 0.187E-03
DAV: 21 -0.913313595517E+02 -0.26252E-04 -0.40823E-06 428 0.102E-02 0.181E-03
DAV: 22 -0.913313654411E+02 -0.58894E-05 -0.10457E-06 472 0.596E-03
1 F= -.91331365E+02 E0= -.91336276E+02 d E =0.147330E-01