./iterations/neb0_image06_iter19_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 0.361884482657E+03 0.36188E+03 -0.14236E+04 632 0.799E+02
DAV: 2 0.312637060715E+01 -0.35876E+03 -0.34597E+03 877 0.193E+02
DAV: 3 -0.939267645214E+02 -0.97053E+02 -0.96546E+02 672 0.114E+02
DAV: 4 -0.985164571608E+02 -0.45897E+01 -0.45733E+01 712 0.279E+01
DAV: 5 -0.986133590445E+02 -0.96902E-01 -0.96867E-01 744 0.359E+00 0.217E+01
DAV: 6 -0.898908915396E+02 0.87225E+01 -0.32199E+01 680 0.309E+01 0.113E+01
DAV: 7 -0.890820213377E+02 0.80887E+00 -0.16581E+00 720 0.711E+00 0.488E+00
DAV: 8 -0.886881500239E+02 0.39387E+00 -0.71798E-01 712 0.471E+00 0.170E+00
DAV: 9 -0.886009905167E+02 0.87160E-01 -0.14576E-01 720 0.194E+00 0.541E-01
DAV: 10 -0.885893392571E+02 0.11651E-01 -0.22721E-02 784 0.774E-01 0.286E-01
DAV: 11 -0.885898779408E+02 -0.53868E-03 -0.12310E-02 632 0.695E-01 0.168E-01
DAV: 12 -0.885922565562E+02 -0.23786E-02 -0.35794E-03 688 0.411E-01 0.108E-01
DAV: 13 -0.885963062815E+02 -0.40497E-02 -0.28414E-03 615 0.278E-01 0.100E-01
DAV: 14 -0.885994199133E+02 -0.31136E-02 -0.11462E-03 661 0.192E-01 0.443E-02
DAV: 15 -0.886023431222E+02 -0.29232E-02 -0.88792E-04 672 0.181E-01 0.454E-02
DAV: 16 -0.886037356395E+02 -0.13925E-02 -0.26612E-04 696 0.105E-01 0.354E-02
DAV: 17 -0.886046350732E+02 -0.89943E-03 -0.35819E-04 725 0.124E-01 0.254E-02
DAV: 18 -0.886051513633E+02 -0.51629E-03 -0.13528E-04 701 0.732E-02 0.190E-02
DAV: 19 -0.886053413627E+02 -0.19000E-03 -0.41112E-05 669 0.391E-02 0.966E-03
DAV: 20 -0.886054783080E+02 -0.13695E-03 -0.35407E-05 549 0.331E-02 0.591E-03
DAV: 21 -0.886055272201E+02 -0.48912E-04 -0.44671E-06 477 0.167E-02 0.325E-03
DAV: 22 -0.886055616109E+02 -0.34391E-04 -0.82881E-06 410 0.145E-02 0.232E-03
DAV: 23 -0.886055669691E+02 -0.53582E-05 -0.11793E-06 496 0.648E-03
1 F= -.88605567E+02 E0= -.88609485E+02 d E =0.117539E-01