./iterations/neb0_image06_iter120_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 0.375687259297E+03 0.37569E+03 -0.14311E+04 632 0.799E+02
DAV: 2 0.380176985503E+01 -0.37189E+03 -0.35993E+03 882 0.195E+02
DAV: 3 -0.955656010363E+02 -0.99367E+02 -0.99041E+02 648 0.117E+02
DAV: 4 -0.100312667799E+03 -0.47471E+01 -0.47348E+01 696 0.294E+01
DAV: 5 -0.100410494707E+03 -0.97827E-01 -0.97780E-01 736 0.376E+00 0.226E+01
DAV: 6 -0.918176114876E+02 0.85929E+01 -0.30777E+01 698 0.305E+01 0.118E+01
DAV: 7 -0.910018922763E+02 0.81572E+00 -0.17535E+00 720 0.632E+00 0.480E+00
DAV: 8 -0.906244296703E+02 0.37746E+00 -0.49499E-01 728 0.398E+00 0.169E+00
DAV: 9 -0.905320773573E+02 0.92352E-01 -0.13918E-01 717 0.173E+00 0.419E-01
DAV: 10 -0.905232040974E+02 0.88733E-02 -0.39354E-02 800 0.105E+00 0.296E-01
DAV: 11 -0.905275191416E+02 -0.43150E-02 -0.14245E-02 602 0.699E-01 0.175E-01
DAV: 12 -0.905286832258E+02 -0.11641E-02 -0.20619E-03 682 0.293E-01 0.120E-01
DAV: 13 -0.905338996499E+02 -0.52164E-02 -0.59058E-03 694 0.533E-01 0.990E-02
DAV: 14 -0.905348790209E+02 -0.97937E-03 -0.10379E-03 776 0.203E-01 0.771E-02
DAV: 15 -0.905368996644E+02 -0.20206E-02 -0.76734E-04 618 0.156E-01 0.301E-02
DAV: 16 -0.905394994131E+02 -0.25997E-02 -0.49793E-04 663 0.117E-01 0.404E-02
DAV: 17 -0.905406132179E+02 -0.11138E-02 -0.13497E-04 845 0.106E-01 0.217E-02
DAV: 18 -0.905410026495E+02 -0.38943E-03 -0.19170E-04 680 0.887E-02 0.122E-02
DAV: 19 -0.905412015501E+02 -0.19890E-03 -0.21309E-05 525 0.299E-02 0.681E-03
DAV: 20 -0.905413520662E+02 -0.15052E-03 -0.40539E-05 556 0.323E-02 0.139E-02
DAV: 21 -0.905413772242E+02 -0.25158E-04 -0.81348E-06 445 0.321E-02 0.145E-02
DAV: 22 -0.905413791830E+02 -0.19588E-05 -0.19458E-05 552 0.328E-02
1 F= -.90541379E+02 E0= -.90548038E+02 d E =0.199770E-01