iterations/neb0_image02_iter84_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 0.365278444541E+03 0.36528E+03 -0.14330E+04 632 0.799E+02
DAV: 2 0.414035731282E+01 -0.36114E+03 -0.34641E+03 834 0.195E+02
DAV: 3 -0.957150674317E+02 -0.99855E+02 -0.99526E+02 685 0.116E+02
DAV: 4 -0.100196818543E+03 -0.44818E+01 -0.44711E+01 696 0.278E+01
DAV: 5 -0.100283597497E+03 -0.86779E-01 -0.86734E-01 736 0.348E+00 0.222E+01
DAV: 6 -0.916570285011E+02 0.86266E+01 -0.31037E+01 696 0.299E+01 0.117E+01
DAV: 7 -0.908342683323E+02 0.82276E+00 -0.18371E+00 704 0.633E+00 0.484E+00
DAV: 8 -0.904464291863E+02 0.38784E+00 -0.55799E-01 688 0.426E+00 0.169E+00
DAV: 9 -0.903554834333E+02 0.90946E-01 -0.13943E-01 704 0.166E+00 0.433E-01
DAV: 10 -0.903490192653E+02 0.64642E-02 -0.48694E-02 704 0.128E+00 0.325E-01
DAV: 11 -0.903527640194E+02 -0.37448E-02 -0.75611E-03 616 0.500E-01 0.142E-01
DAV: 12 -0.903562075027E+02 -0.34435E-02 -0.72440E-03 607 0.463E-01 0.134E-01
DAV: 13 -0.903588011036E+02 -0.25936E-02 -0.15335E-03 912 0.331E-01 0.787E-02
DAV: 14 -0.903619635277E+02 -0.31624E-02 -0.14325E-03 634 0.184E-01 0.586E-02
DAV: 15 -0.903642467227E+02 -0.22832E-02 -0.37847E-04 672 0.109E-01 0.451E-02
DAV: 16 -0.903656943663E+02 -0.14476E-02 -0.72237E-04 653 0.153E-01 0.340E-02
DAV: 17 -0.903665726259E+02 -0.87826E-03 -0.16651E-04 778 0.883E-02 0.210E-02
DAV: 18 -0.903667228486E+02 -0.15022E-03 -0.46488E-05 712 0.356E-02 0.105E-02
DAV: 19 -0.903669297646E+02 -0.20692E-03 -0.35811E-05 567 0.298E-02 0.381E-03
DAV: 20 -0.903669742153E+02 -0.44451E-04 -0.38385E-06 480 0.110E-02 0.471E-03
DAV: 21 -0.903670211976E+02 -0.46982E-04 -0.63394E-06 423 0.148E-02 0.392E-03
DAV: 22 -0.903670371800E+02 -0.15982E-04 -0.40007E-06 477 0.114E-02 0.260E-03
DAV: 23 -0.903670386376E+02 -0.14576E-05 -0.24612E-06 544 0.912E-03
1 F= -.90367039E+02 E0= -.90372517E+02 d E =0.164343E-01