iterations/neb0_image03_iter170_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 0.364081807664E+03 0.36408E+03 -0.14321E+04 632 0.799E+02
DAV: 2 0.491082380136E-01 -0.36403E+03 -0.35383E+03 869 0.195E+02
DAV: 3 -0.961725989145E+02 -0.96222E+02 -0.95919E+02 677 0.115E+02
DAV: 4 -0.100249167710E+03 -0.40766E+01 -0.40665E+01 712 0.270E+01
DAV: 5 -0.100329415676E+03 -0.80248E-01 -0.80216E-01 736 0.339E+00 0.222E+01
DAV: 6 -0.917137350860E+02 0.86157E+01 -0.30964E+01 672 0.299E+01 0.117E+01
DAV: 7 -0.908763369191E+02 0.83740E+00 -0.18368E+00 704 0.639E+00 0.484E+00
DAV: 8 -0.904790392427E+02 0.39730E+00 -0.55207E-01 704 0.429E+00 0.170E+00
DAV: 9 -0.903799124500E+02 0.99127E-01 -0.12543E-01 712 0.207E+00 0.454E-01
DAV: 10 -0.903715940393E+02 0.83184E-02 -0.57665E-02 720 0.135E+00 0.372E-01
DAV: 11 -0.903750141616E+02 -0.34201E-02 -0.14976E-02 605 0.787E-01 0.151E-01
DAV: 12 -0.903763006864E+02 -0.12865E-02 -0.67767E-03 637 0.475E-01 0.151E-01
DAV: 13 -0.903794599935E+02 -0.31593E-02 -0.76587E-03 701 0.664E-01 0.106E-01
DAV: 14 -0.903829961225E+02 -0.35361E-02 -0.21747E-03 672 0.306E-01 0.878E-02
DAV: 15 -0.903850016841E+02 -0.20056E-02 -0.61894E-04 669 0.133E-01 0.466E-02
DAV: 16 -0.903869693107E+02 -0.19676E-02 -0.68204E-04 672 0.139E-01 0.263E-02
DAV: 17 -0.903879175096E+02 -0.94820E-03 -0.95391E-05 656 0.843E-02 0.157E-02
DAV: 18 -0.903887820267E+02 -0.86452E-03 -0.23334E-04 711 0.782E-02 0.145E-02
DAV: 19 -0.903888491872E+02 -0.67161E-04 -0.20098E-05 600 0.396E-02 0.568E-03
DAV: 20 -0.903889680965E+02 -0.11891E-03 -0.36752E-05 617 0.295E-02 0.796E-03
DAV: 21 -0.903890195019E+02 -0.51405E-04 -0.58906E-06 464 0.185E-02 0.487E-03
DAV: 22 -0.903890442287E+02 -0.24727E-04 -0.17975E-05 496 0.273E-02 0.564E-03
DAV: 23 -0.903890562233E+02 -0.11995E-04 -0.42892E-06 456 0.124E-02 0.500E-03
DAV: 24 -0.903890600861E+02 -0.38629E-05 -0.16854E-06 480 0.804E-03
1 F= -.90389060E+02 E0= -.90393946E+02 d E =0.146588E-01