./iterations/neb0_image04_iter82_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 0.370883727177E+03 0.37088E+03 -0.14316E+04 632 0.799E+02
DAV: 2 0.443846446532E+01 -0.36645E+03 -0.35365E+03 850 0.195E+02
DAV: 3 -0.954463064714E+02 -0.99885E+02 -0.99573E+02 682 0.117E+02
DAV: 4 -0.998004648277E+02 -0.43542E+01 -0.43438E+01 712 0.278E+01
DAV: 5 -0.998835909324E+02 -0.83126E-01 -0.83092E-01 728 0.348E+00 0.222E+01
DAV: 6 -0.913953573369E+02 0.84882E+01 -0.29954E+01 671 0.294E+01 0.116E+01
DAV: 7 -0.905381563563E+02 0.85720E+00 -0.17271E+00 720 0.626E+00 0.479E+00
DAV: 8 -0.901394377842E+02 0.39872E+00 -0.55942E-01 712 0.424E+00 0.164E+00
DAV: 9 -0.900453332095E+02 0.94105E-01 -0.13504E-01 712 0.171E+00 0.435E-01
DAV: 10 -0.900361314824E+02 0.92017E-02 -0.56326E-02 712 0.132E+00 0.344E-01
DAV: 11 -0.900401648843E+02 -0.40334E-02 -0.12058E-02 602 0.629E-01 0.132E-01
DAV: 12 -0.900427178394E+02 -0.25530E-02 -0.46397E-03 642 0.309E-01 0.132E-01
DAV: 13 -0.900462649692E+02 -0.35471E-02 -0.18100E-03 850 0.335E-01 0.733E-02
DAV: 14 -0.900496115790E+02 -0.33466E-02 -0.11413E-03 645 0.158E-01 0.565E-02
DAV: 15 -0.900522648484E+02 -0.26533E-02 -0.39843E-04 722 0.110E-01 0.409E-02
DAV: 16 -0.900536932226E+02 -0.14284E-02 -0.54980E-04 688 0.126E-01 0.309E-02
DAV: 17 -0.900545337407E+02 -0.84052E-03 -0.19194E-04 855 0.905E-02 0.135E-02
DAV: 18 -0.900548106741E+02 -0.27693E-03 -0.38106E-05 600 0.356E-02 0.740E-03
DAV: 19 -0.900549813885E+02 -0.17071E-03 -0.25920E-05 521 0.211E-02 0.370E-03
DAV: 20 -0.900549941435E+02 -0.12755E-04 -0.26538E-06 536 0.115E-02 0.361E-03
DAV: 21 -0.900550408188E+02 -0.46675E-04 -0.62883E-06 403 0.120E-02 0.243E-03
DAV: 22 -0.900550488250E+02 -0.80062E-05 -0.15338E-06 485 0.645E-03
1 F= -.90055049E+02 E0= -.90059186E+02 d E =0.124116E-01