iterations/neb0_image06_iter30_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 0.370328679422E+03 0.37033E+03 -0.14287E+04 632 0.799E+02
DAV: 2 0.371586116449E+01 -0.36661E+03 -0.35370E+03 866 0.195E+02
DAV: 3 -0.948945105533E+02 -0.98610E+02 -0.98265E+02 661 0.116E+02
DAV: 4 -0.992884994646E+02 -0.43940E+01 -0.43815E+01 720 0.284E+01
DAV: 5 -0.993764929972E+02 -0.87994E-01 -0.87966E-01 720 0.359E+00 0.222E+01
DAV: 6 -0.908073999779E+02 0.85691E+01 -0.30748E+01 690 0.305E+01 0.115E+01
DAV: 7 -0.899906697440E+02 0.81673E+00 -0.16408E+00 720 0.663E+00 0.475E+00
DAV: 8 -0.896202244869E+02 0.37045E+00 -0.52752E-01 696 0.405E+00 0.170E+00
DAV: 9 -0.895352650843E+02 0.84959E-01 -0.14600E-01 720 0.177E+00 0.489E-01
DAV: 10 -0.895253649777E+02 0.99001E-02 -0.23046E-02 744 0.100E+00 0.298E-01
DAV: 11 -0.895265803657E+02 -0.12154E-02 -0.94365E-03 621 0.482E-01 0.153E-01
DAV: 12 -0.895293396220E+02 -0.27593E-02 -0.27979E-03 612 0.350E-01 0.102E-01
DAV: 13 -0.895335244915E+02 -0.41849E-02 -0.15152E-03 633 0.232E-01 0.904E-02
DAV: 14 -0.895364000597E+02 -0.28756E-02 -0.69327E-04 653 0.135E-01 0.384E-02
DAV: 15 -0.895391237118E+02 -0.27237E-02 -0.66095E-04 698 0.127E-01 0.421E-02
DAV: 16 -0.895407404279E+02 -0.16167E-02 -0.36270E-04 741 0.109E-01 0.169E-02
DAV: 17 -0.895413049390E+02 -0.56451E-03 -0.52837E-05 688 0.425E-02 0.110E-02
DAV: 18 -0.895418676790E+02 -0.56274E-03 -0.66469E-05 571 0.365E-02 0.766E-03
DAV: 19 -0.895420327513E+02 -0.16507E-03 -0.12717E-05 493 0.161E-02 0.477E-03
DAV: 20 -0.895421218763E+02 -0.89125E-04 -0.15720E-05 474 0.195E-02 0.294E-03
DAV: 21 -0.895421423406E+02 -0.20464E-04 -0.30354E-06 496 0.853E-03 0.246E-03
DAV: 22 -0.895421533677E+02 -0.11027E-04 -0.16024E-06 407 0.615E-03 0.994E-04
DAV: 23 -0.895421572762E+02 -0.39085E-05 -0.11007E-06 472 0.542E-03
1 F= -.89542157E+02 E0= -.89552833E+02 d E =0.320276E-01