./iterations/neb0_image08_iter93_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 0.375129118366E+03 0.37513E+03 -0.14276E+04 624 0.799E+02
DAV: 2 0.356171213988E+01 -0.37157E+03 -0.35835E+03 869 0.196E+02
DAV: 3 -0.966910437334E+02 -0.10025E+03 -0.99910E+02 688 0.117E+02
DAV: 4 -0.101084527155E+03 -0.43935E+01 -0.43833E+01 688 0.275E+01
DAV: 5 -0.101172357456E+03 -0.87830E-01 -0.87790E-01 736 0.348E+00 0.226E+01
DAV: 6 -0.925840678663E+02 0.85883E+01 -0.30755E+01 693 0.301E+01 0.118E+01
DAV: 7 -0.917252823757E+02 0.85879E+00 -0.16779E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.913462953814E+02 0.37899E+00 -0.56128E-01 704 0.404E+00 0.162E+00
DAV: 9 -0.912640612406E+02 0.82234E-01 -0.12869E-01 712 0.155E+00 0.425E-01
DAV: 10 -0.912547433437E+02 0.93179E-02 -0.46483E-02 720 0.112E+00 0.306E-01
DAV: 11 -0.912593996176E+02 -0.46563E-02 -0.13496E-02 624 0.597E-01 0.154E-01
DAV: 12 -0.912623713141E+02 -0.29717E-02 -0.31288E-03 612 0.254E-01 0.123E-01
DAV: 13 -0.912659866706E+02 -0.36154E-02 -0.16197E-03 728 0.233E-01 0.459E-02
DAV: 14 -0.912690286769E+02 -0.30420E-02 -0.58839E-04 645 0.128E-01 0.382E-02
DAV: 15 -0.912709994652E+02 -0.19708E-02 -0.19418E-04 653 0.762E-02 0.411E-02
DAV: 16 -0.912721846962E+02 -0.11852E-02 -0.35766E-04 653 0.956E-02 0.189E-02
DAV: 17 -0.912725396582E+02 -0.35496E-03 -0.53786E-05 680 0.510E-02 0.154E-02
DAV: 18 -0.912728229253E+02 -0.28327E-03 -0.51221E-05 575 0.341E-02 0.122E-02
DAV: 19 -0.912728905188E+02 -0.67593E-04 -0.91717E-06 488 0.193E-02 0.617E-03
DAV: 20 -0.912729213128E+02 -0.30794E-04 -0.10786E-05 448 0.209E-02 0.190E-03
DAV: 21 -0.912729470274E+02 -0.25715E-04 -0.41760E-06 428 0.965E-03 0.288E-03
DAV: 22 -0.912729522965E+02 -0.52692E-05 -0.76071E-07 496 0.438E-03
1 F= -.91272952E+02 E0= -.91277943E+02 d E =0.149726E-01