iterations/neb0_image06_iter103_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 0.375424364654E+03 0.37542E+03 -0.14310E+04 632 0.799E+02
DAV: 2 0.371835152116E+01 -0.37171E+03 -0.35971E+03 877 0.195E+02
DAV: 3 -0.954749079937E+02 -0.99193E+02 -0.98867E+02 640 0.117E+02
DAV: 4 -0.100227629442E+03 -0.47527E+01 -0.47413E+01 712 0.297E+01
DAV: 5 -0.100324941937E+03 -0.97312E-01 -0.97268E-01 736 0.380E+00 0.226E+01
DAV: 6 -0.917259734734E+02 0.85990E+01 -0.30769E+01 698 0.305E+01 0.118E+01
DAV: 7 -0.908972433201E+02 0.82873E+00 -0.17148E+00 720 0.627E+00 0.480E+00
DAV: 8 -0.905178517485E+02 0.37939E+00 -0.52689E-01 728 0.404E+00 0.165E+00
DAV: 9 -0.904279889304E+02 0.89863E-01 -0.13024E-01 720 0.165E+00 0.421E-01
DAV: 10 -0.904184772499E+02 0.95117E-02 -0.42456E-02 752 0.106E+00 0.302E-01
DAV: 11 -0.904230673244E+02 -0.45901E-02 -0.13343E-02 613 0.667E-01 0.171E-01
DAV: 12 -0.904245396464E+02 -0.14723E-02 -0.23619E-03 672 0.279E-01 0.115E-01
DAV: 13 -0.904292024220E+02 -0.46628E-02 -0.35752E-03 668 0.405E-01 0.742E-02
DAV: 14 -0.904308659606E+02 -0.16635E-02 -0.57179E-04 704 0.153E-01 0.553E-02
DAV: 15 -0.904335230188E+02 -0.26571E-02 -0.75285E-04 637 0.152E-01 0.337E-02
DAV: 16 -0.904352652660E+02 -0.17422E-02 -0.23737E-04 669 0.787E-02 0.291E-02
DAV: 17 -0.904359376963E+02 -0.67243E-03 -0.10068E-04 733 0.733E-02 0.142E-02
DAV: 18 -0.904366290070E+02 -0.69131E-03 -0.14662E-04 636 0.735E-02 0.135E-02
DAV: 19 -0.904367935266E+02 -0.16452E-03 -0.19200E-05 493 0.299E-02 0.115E-02
DAV: 20 -0.904368634467E+02 -0.69920E-04 -0.23619E-05 536 0.279E-02 0.752E-03
DAV: 21 -0.904369408722E+02 -0.77426E-04 -0.99148E-06 425 0.166E-02 0.457E-03
DAV: 22 -0.904369603146E+02 -0.19442E-04 -0.70331E-06 477 0.145E-02 0.489E-03
DAV: 23 -0.904369683381E+02 -0.80234E-05 -0.25122E-06 397 0.144E-02
1 F= -.90436968E+02 E0= -.90442881E+02 d E =0.177381E-01