./iterations/neb0_image09_iter14_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 0.372074086395E+03 0.37207E+03 -0.14267E+04 624 0.799E+02
DAV: 2 0.221095372831E+01 -0.36986E+03 -0.35734E+03 880 0.195E+02
DAV: 3 -0.964142237075E+02 -0.98625E+02 -0.98298E+02 656 0.116E+02
DAV: 4 -0.100962776061E+03 -0.45486E+01 -0.45379E+01 712 0.288E+01
DAV: 5 -0.101053304412E+03 -0.90528E-01 -0.90480E-01 736 0.368E+00 0.224E+01
DAV: 6 -0.924938510014E+02 0.85595E+01 -0.30823E+01 696 0.299E+01 0.117E+01
DAV: 7 -0.916674853605E+02 0.82637E+00 -0.16875E+00 720 0.620E+00 0.477E+00
DAV: 8 -0.912984353112E+02 0.36905E+00 -0.55420E-01 712 0.401E+00 0.163E+00
DAV: 9 -0.912172584806E+02 0.81177E-01 -0.12729E-01 704 0.155E+00 0.422E-01
DAV: 10 -0.912085204597E+02 0.87380E-02 -0.36280E-02 760 0.957E-01 0.282E-01
DAV: 11 -0.912133444187E+02 -0.48240E-02 -0.12049E-02 613 0.587E-01 0.164E-01
DAV: 12 -0.912153025934E+02 -0.19582E-02 -0.20898E-03 640 0.259E-01 0.916E-02
DAV: 13 -0.912197788187E+02 -0.44762E-02 -0.28934E-03 635 0.290E-01 0.688E-02
DAV: 14 -0.912211134784E+02 -0.13347E-02 -0.41336E-04 776 0.170E-01 0.362E-02
DAV: 15 -0.912240736922E+02 -0.29602E-02 -0.85825E-04 631 0.168E-01 0.418E-02
DAV: 16 -0.912248783704E+02 -0.80468E-03 -0.13708E-04 752 0.943E-02 0.219E-02
DAV: 17 -0.912258696823E+02 -0.99131E-03 -0.21848E-04 666 0.832E-02 0.127E-02
DAV: 18 -0.912262470357E+02 -0.37735E-03 -0.37184E-05 672 0.270E-02 0.142E-02
DAV: 19 -0.912263878267E+02 -0.14079E-03 -0.13322E-05 445 0.228E-02 0.760E-03
DAV: 20 -0.912264443331E+02 -0.56506E-04 -0.29513E-05 578 0.312E-02 0.532E-03
DAV: 21 -0.912264606261E+02 -0.16293E-04 -0.33294E-06 448 0.149E-02 0.277E-03
DAV: 22 -0.912264697972E+02 -0.91711E-05 -0.31498E-06 447 0.886E-03
1 F= -.91226470E+02 E0= -.91231333E+02 d E =0.145902E-01