./iterations/neb0_image02_iter147_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 0.363721324168E+03 0.36372E+03 -0.14328E+04 632 0.799E+02
DAV: 2 0.281304589735E+01 -0.36091E+03 -0.34771E+03 845 0.195E+02
DAV: 3 -0.956005624623E+02 -0.98414E+02 -0.98077E+02 664 0.116E+02
DAV: 4 -0.100203555169E+03 -0.46030E+01 -0.45914E+01 728 0.286E+01
DAV: 5 -0.100293464536E+03 -0.89909E-01 -0.89877E-01 736 0.359E+00 0.222E+01
DAV: 6 -0.916633426848E+02 0.86301E+01 -0.31051E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908549437493E+02 0.80840E+00 -0.18537E+00 704 0.638E+00 0.484E+00
DAV: 8 -0.904733478161E+02 0.38160E+00 -0.55674E-01 704 0.430E+00 0.169E+00
DAV: 9 -0.903851882489E+02 0.88160E-01 -0.13768E-01 696 0.168E+00 0.431E-01
DAV: 10 -0.903792339289E+02 0.59543E-02 -0.50561E-02 704 0.130E+00 0.331E-01
DAV: 11 -0.903827946265E+02 -0.35607E-02 -0.78293E-03 608 0.547E-01 0.135E-01
DAV: 12 -0.903861378400E+02 -0.33432E-02 -0.78978E-03 640 0.475E-01 0.140E-01
DAV: 13 -0.903885639467E+02 -0.24261E-02 -0.20235E-03 901 0.363E-01 0.828E-02
DAV: 14 -0.903917786558E+02 -0.32147E-02 -0.15021E-03 637 0.186E-01 0.690E-02
DAV: 15 -0.903937839020E+02 -0.20052E-02 -0.36100E-04 677 0.108E-01 0.542E-02
DAV: 16 -0.903952764242E+02 -0.14925E-02 -0.10318E-03 664 0.191E-01 0.381E-02
DAV: 17 -0.903961008370E+02 -0.82441E-03 -0.15846E-04 664 0.853E-02 0.291E-02
DAV: 18 -0.903963470927E+02 -0.24626E-03 -0.78051E-05 688 0.426E-02 0.131E-02
DAV: 19 -0.903965479878E+02 -0.20090E-03 -0.58369E-05 623 0.399E-02 0.760E-03
DAV: 20 -0.903965701123E+02 -0.22125E-04 -0.72513E-06 480 0.216E-02 0.738E-03
DAV: 21 -0.903965896978E+02 -0.19585E-04 -0.64820E-06 474 0.146E-02 0.697E-03
DAV: 22 -0.903966205772E+02 -0.30879E-04 -0.51178E-06 423 0.162E-02 0.344E-03
DAV: 23 -0.903966254934E+02 -0.49161E-05 -0.91843E-06 488 0.166E-02
1 F= -.90396625E+02 E0= -.90402372E+02 d E =0.172389E-01