./iterations/neb0_image06_iter299_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 0.375621795322E+03 0.37562E+03 -0.14333E+04 632 0.799E+02
DAV: 2 0.479825215719E+01 -0.37082E+03 -0.35885E+03 874 0.195E+02
DAV: 3 -0.943063147031E+02 -0.99105E+02 -0.98712E+02 656 0.116E+02
DAV: 4 -0.989100372510E+02 -0.46037E+01 -0.45850E+01 712 0.290E+01
DAV: 5 -0.990041795516E+02 -0.94142E-01 -0.94086E-01 728 0.376E+00 0.222E+01
DAV: 6 -0.906637771748E+02 0.83404E+01 -0.29604E+01 701 0.303E+01 0.116E+01
DAV: 7 -0.898496892882E+02 0.81409E+00 -0.17306E+00 712 0.645E+00 0.481E+00
DAV: 8 -0.894541055641E+02 0.39558E+00 -0.58022E-01 720 0.425E+00 0.160E+00
DAV: 9 -0.893592515460E+02 0.94854E-01 -0.13012E-01 720 0.168E+00 0.445E-01
DAV: 10 -0.893482260220E+02 0.11026E-01 -0.33378E-02 720 0.925E-01 0.297E-01
DAV: 11 -0.893508210202E+02 -0.25950E-02 -0.11548E-02 616 0.616E-01 0.175E-01
DAV: 12 -0.893522354440E+02 -0.14144E-02 -0.31825E-03 760 0.418E-01 0.105E-01
DAV: 13 -0.893568596245E+02 -0.46242E-02 -0.39651E-03 631 0.327E-01 0.111E-01
DAV: 14 -0.893592333783E+02 -0.23738E-02 -0.11321E-03 808 0.229E-01 0.380E-02
DAV: 15 -0.893626222740E+02 -0.33889E-02 -0.68062E-04 628 0.138E-01 0.370E-02
DAV: 16 -0.893648591867E+02 -0.22369E-02 -0.17365E-04 696 0.642E-02 0.248E-02
DAV: 17 -0.893662649430E+02 -0.14058E-02 -0.32731E-04 652 0.948E-02 0.192E-02
DAV: 18 -0.893665415289E+02 -0.27659E-03 -0.23672E-05 584 0.311E-02 0.153E-02
DAV: 19 -0.893667117222E+02 -0.17019E-03 -0.53460E-05 618 0.427E-02 0.438E-03
DAV: 20 -0.893667619219E+02 -0.50200E-04 -0.52686E-06 488 0.149E-02 0.340E-03
DAV: 21 -0.893668051760E+02 -0.43254E-04 -0.50854E-06 401 0.107E-02 0.246E-03
DAV: 22 -0.893668220921E+02 -0.16916E-04 -0.22333E-06 469 0.824E-03 0.877E-04
DAV: 23 -0.893668276962E+02 -0.56041E-05 -0.11071E-06 428 0.523E-03
1 F= -.89366828E+02 E0= -.89374953E+02 d E =0.243771E-01