./iterations/neb0_image01_iter232_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 0.364980045734E+03 0.36498E+03 -0.14295E+04 624 0.799E+02
DAV: 2 0.318222836265E+01 -0.36180E+03 -0.34867E+03 839 0.196E+02
DAV: 3 -0.954871124065E+02 -0.98669E+02 -0.98325E+02 653 0.116E+02
DAV: 4 -0.100190708667E+03 -0.47036E+01 -0.46912E+01 704 0.293E+01
DAV: 5 -0.100283939752E+03 -0.93231E-01 -0.93180E-01 728 0.371E+00 0.221E+01
DAV: 6 -0.916809875776E+02 0.86030E+01 -0.30950E+01 688 0.299E+01 0.116E+01
DAV: 7 -0.908861472707E+02 0.79484E+00 -0.18291E+00 712 0.639E+00 0.484E+00
DAV: 8 -0.905113435679E+02 0.37480E+00 -0.54997E-01 704 0.428E+00 0.168E+00
DAV: 9 -0.904282147342E+02 0.83129E-01 -0.13121E-01 720 0.167E+00 0.422E-01
DAV: 10 -0.904237194939E+02 0.44952E-02 -0.47487E-02 712 0.123E+00 0.325E-01
DAV: 11 -0.904279242851E+02 -0.42048E-02 -0.82130E-03 608 0.609E-01 0.116E-01
DAV: 12 -0.904311696306E+02 -0.32453E-02 -0.63747E-03 632 0.425E-01 0.133E-01
DAV: 13 -0.904336885394E+02 -0.25189E-02 -0.15532E-03 845 0.304E-01 0.780E-02
DAV: 14 -0.904369724811E+02 -0.32839E-02 -0.16115E-03 650 0.207E-01 0.749E-02
DAV: 15 -0.904385048709E+02 -0.15324E-02 -0.27823E-04 704 0.116E-01 0.574E-02
DAV: 16 -0.904398724873E+02 -0.13676E-02 -0.11707E-03 669 0.211E-01 0.398E-02
DAV: 17 -0.904406805771E+02 -0.80809E-03 -0.15811E-04 728 0.886E-02 0.311E-02
DAV: 18 -0.904409546704E+02 -0.27409E-03 -0.58743E-05 688 0.381E-02 0.190E-02
DAV: 19 -0.904411982775E+02 -0.24361E-03 -0.79027E-05 650 0.493E-02 0.651E-03
DAV: 20 -0.904412302461E+02 -0.31969E-04 -0.98160E-06 536 0.210E-02 0.592E-03
DAV: 21 -0.904412755825E+02 -0.45336E-04 -0.89646E-06 404 0.170E-02 0.680E-03
DAV: 22 -0.904412951187E+02 -0.19536E-04 -0.32880E-06 477 0.133E-02 0.454E-03
DAV: 23 -0.904413005222E+02 -0.54035E-05 -0.73352E-06 488 0.164E-02
1 F= -.90441301E+02 E0= -.90448100E+02 d E =0.203975E-01