./iterations/neb0_image03_iter297_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 0.366569919671E+03 0.36657E+03 -0.14291E+04 624 0.799E+02
DAV: 2 0.849260495953E+00 -0.36572E+03 -0.35358E+03 863 0.196E+02
DAV: 3 -0.959461117867E+02 -0.96795E+02 -0.96488E+02 656 0.116E+02
DAV: 4 -0.100292301535E+03 -0.43462E+01 -0.43369E+01 696 0.283E+01
DAV: 5 -0.100376794107E+03 -0.84493E-01 -0.84465E-01 736 0.357E+00 0.223E+01
DAV: 6 -0.916884556107E+02 0.86883E+01 -0.31472E+01 688 0.301E+01 0.117E+01
DAV: 7 -0.908570022348E+02 0.83145E+00 -0.17999E+00 704 0.627E+00 0.483E+00
DAV: 8 -0.904702343081E+02 0.38677E+00 -0.54896E-01 704 0.426E+00 0.171E+00
DAV: 9 -0.903804699503E+02 0.89764E-01 -0.14261E-01 712 0.174E+00 0.447E-01
DAV: 10 -0.903743715001E+02 0.60985E-02 -0.44825E-02 712 0.126E+00 0.330E-01
DAV: 11 -0.903773998609E+02 -0.30284E-02 -0.58757E-03 632 0.546E-01 0.147E-01
DAV: 12 -0.903812286140E+02 -0.38288E-02 -0.69481E-03 616 0.428E-01 0.123E-01
DAV: 13 -0.903851892303E+02 -0.39606E-02 -0.13188E-03 896 0.287E-01 0.723E-02
DAV: 14 -0.903886933990E+02 -0.35042E-02 -0.12797E-03 645 0.162E-01 0.517E-02
DAV: 15 -0.903906200788E+02 -0.19267E-02 -0.25768E-04 696 0.951E-02 0.275E-02
DAV: 16 -0.903922993267E+02 -0.16792E-02 -0.48302E-04 647 0.124E-01 0.312E-02
DAV: 17 -0.903927202698E+02 -0.42094E-03 -0.73755E-05 688 0.588E-02 0.190E-02
DAV: 18 -0.903931085312E+02 -0.38826E-03 -0.13947E-04 631 0.696E-02 0.130E-02
DAV: 19 -0.903932639325E+02 -0.15540E-03 -0.14801E-05 469 0.252E-02 0.987E-03
DAV: 20 -0.903933503725E+02 -0.86440E-04 -0.32173E-05 584 0.323E-02 0.465E-03
DAV: 21 -0.903933730126E+02 -0.22640E-04 -0.44585E-06 512 0.136E-02 0.331E-03
DAV: 22 -0.903933943705E+02 -0.21358E-04 -0.48733E-06 413 0.119E-02 0.194E-03
DAV: 23 -0.903933978893E+02 -0.35189E-05 -0.93219E-07 496 0.596E-03
1 F= -.90393398E+02 E0= -.90401550E+02 d E =0.244568E-01