iterations/neb0_image05_iter204_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 0.368559112740E+03 0.36856E+03 -0.14301E+04 624 0.799E+02
DAV: 2 0.429862016109E+01 -0.36426E+03 -0.35055E+03 848 0.195E+02
DAV: 3 -0.954905604885E+02 -0.99789E+02 -0.99455E+02 677 0.117E+02
DAV: 4 -0.100040417348E+03 -0.45499E+01 -0.45395E+01 696 0.283E+01
DAV: 5 -0.100131060537E+03 -0.90643E-01 -0.90599E-01 725 0.354E+00 0.222E+01
DAV: 6 -0.915846590165E+02 0.85464E+01 -0.30773E+01 688 0.300E+01 0.117E+01
DAV: 7 -0.907836319314E+02 0.80103E+00 -0.18144E+00 728 0.631E+00 0.482E+00
DAV: 8 -0.904109564242E+02 0.37268E+00 -0.53008E-01 704 0.424E+00 0.169E+00
DAV: 9 -0.903242345663E+02 0.86722E-01 -0.14019E-01 712 0.173E+00 0.438E-01
DAV: 10 -0.903174504033E+02 0.67842E-02 -0.43388E-02 752 0.126E+00 0.311E-01
DAV: 11 -0.903205733917E+02 -0.31230E-02 -0.69201E-03 616 0.529E-01 0.144E-01
DAV: 12 -0.903231454003E+02 -0.25720E-02 -0.60865E-03 610 0.479E-01 0.114E-01
DAV: 13 -0.903260756702E+02 -0.29303E-02 -0.12015E-03 744 0.263E-01 0.787E-02
DAV: 14 -0.903293443530E+02 -0.32687E-02 -0.16527E-03 652 0.189E-01 0.603E-02
DAV: 15 -0.903318506121E+02 -0.25063E-02 -0.61555E-04 776 0.173E-01 0.381E-02
DAV: 16 -0.903333784523E+02 -0.15278E-02 -0.63851E-04 672 0.135E-01 0.389E-02
DAV: 17 -0.903341430855E+02 -0.76463E-03 -0.17257E-04 861 0.889E-02 0.230E-02
DAV: 18 -0.903342428365E+02 -0.99751E-04 -0.55775E-05 701 0.396E-02 0.117E-02
DAV: 19 -0.903345208772E+02 -0.27804E-03 -0.43281E-05 567 0.353E-02 0.636E-03
DAV: 20 -0.903346334957E+02 -0.11262E-03 -0.95769E-06 488 0.160E-02 0.524E-03
DAV: 21 -0.903346744184E+02 -0.40923E-04 -0.79425E-06 447 0.160E-02 0.262E-03
DAV: 22 -0.903346902943E+02 -0.15876E-04 -0.51456E-06 456 0.127E-02 0.225E-03
DAV: 23 -0.903346921325E+02 -0.18382E-05 -0.10484E-06 488 0.567E-03
1 F= -.90334692E+02 E0= -.90341334E+02 d E =0.199260E-01