iterations/neb0_image04_iter194_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 0.363249299026E+03 0.36325E+03 -0.14357E+04 640 0.799E+02
DAV: 2 0.110852190436E+01 -0.36214E+03 -0.34932E+03 861 0.193E+02
DAV: 3 -0.961465619286E+02 -0.97255E+02 -0.96959E+02 677 0.115E+02
DAV: 4 -0.100283020922E+03 -0.41365E+01 -0.41266E+01 696 0.272E+01
DAV: 5 -0.100361440580E+03 -0.78420E-01 -0.78392E-01 728 0.339E+00 0.224E+01
DAV: 6 -0.916500594237E+02 0.87114E+01 -0.31119E+01 706 0.298E+01 0.117E+01
DAV: 7 -0.907867998263E+02 0.86326E+00 -0.17936E+00 704 0.631E+00 0.483E+00
DAV: 8 -0.903772907485E+02 0.40951E+00 -0.56800E-01 712 0.429E+00 0.166E+00
DAV: 9 -0.902838502022E+02 0.93441E-01 -0.12285E-01 720 0.199E+00 0.493E-01
DAV: 10 -0.902736246633E+02 0.10226E-01 -0.31828E-02 704 0.904E-01 0.348E-01
DAV: 11 -0.902761062178E+02 -0.24816E-02 -0.13999E-02 664 0.820E-01 0.298E-01
DAV: 12 -0.902769570509E+02 -0.85083E-03 -0.43560E-03 752 0.665E-01 0.125E-01
DAV: 13 -0.902814184890E+02 -0.44614E-02 -0.33105E-03 617 0.328E-01 0.101E-01
DAV: 14 -0.902847114003E+02 -0.32929E-02 -0.81819E-04 637 0.173E-01 0.561E-02
DAV: 15 -0.902882313452E+02 -0.35199E-02 -0.80967E-04 650 0.158E-01 0.317E-02
DAV: 16 -0.902900057314E+02 -0.17744E-02 -0.18971E-04 680 0.825E-02 0.167E-02
DAV: 17 -0.902914297973E+02 -0.14241E-02 -0.24474E-04 652 0.699E-02 0.185E-02
DAV: 18 -0.902916709531E+02 -0.24116E-03 -0.28033E-05 608 0.401E-02 0.910E-03
DAV: 19 -0.902920068848E+02 -0.33593E-03 -0.99976E-05 630 0.521E-02 0.136E-02
DAV: 20 -0.902920220420E+02 -0.15157E-04 -0.62337E-06 536 0.228E-02 0.926E-03
DAV: 21 -0.902920612036E+02 -0.39162E-04 -0.23072E-05 482 0.289E-02 0.321E-03
DAV: 22 -0.902921086806E+02 -0.47477E-04 -0.67151E-06 433 0.132E-02 0.418E-03
DAV: 23 -0.902921154452E+02 -0.67647E-05 -0.14885E-06 512 0.530E-03
1 F= -.90292115E+02 E0= -.90300589E+02 d E =0.254198E-01