./iterations/neb0_image05_iter208_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 0.366904977560E+03 0.36690E+03 -0.14288E+04 624 0.799E+02
DAV: 2 0.356549540190E+01 -0.36334E+03 -0.35032E+03 856 0.195E+02
DAV: 3 -0.953855753173E+02 -0.98951E+02 -0.98624E+02 677 0.116E+02
DAV: 4 -0.998620480081E+02 -0.44765E+01 -0.44668E+01 704 0.280E+01
DAV: 5 -0.999513557832E+02 -0.89308E-01 -0.89265E-01 728 0.352E+00 0.220E+01
DAV: 6 -0.915067184962E+02 0.84446E+01 -0.30492E+01 696 0.298E+01 0.116E+01
DAV: 7 -0.907178812312E+02 0.78884E+00 -0.17767E+00 720 0.638E+00 0.481E+00
DAV: 8 -0.903475780072E+02 0.37030E+00 -0.53220E-01 720 0.429E+00 0.168E+00
DAV: 9 -0.902624318754E+02 0.85146E-01 -0.14071E-01 712 0.173E+00 0.447E-01
DAV: 10 -0.902557519432E+02 0.66799E-02 -0.36983E-02 752 0.118E+00 0.301E-01
DAV: 11 -0.902585277719E+02 -0.27758E-02 -0.60555E-03 624 0.496E-01 0.154E-01
DAV: 12 -0.902609479694E+02 -0.24202E-02 -0.51788E-03 616 0.465E-01 0.106E-01
DAV: 13 -0.902641630826E+02 -0.32151E-02 -0.11019E-03 666 0.236E-01 0.779E-02
DAV: 14 -0.902674582403E+02 -0.32952E-02 -0.16722E-03 633 0.206E-01 0.528E-02
DAV: 15 -0.902701620098E+02 -0.27038E-02 -0.64975E-04 784 0.186E-01 0.346E-02
DAV: 16 -0.902714352064E+02 -0.12732E-02 -0.39171E-04 672 0.971E-02 0.341E-02
DAV: 17 -0.902721222773E+02 -0.68707E-03 -0.18201E-04 800 0.941E-02 0.159E-02
DAV: 18 -0.902723242904E+02 -0.20201E-03 -0.80240E-05 688 0.487E-02 0.142E-02
DAV: 19 -0.902725173766E+02 -0.19309E-03 -0.26256E-05 511 0.274E-02 0.935E-03
DAV: 20 -0.902725752150E+02 -0.57838E-04 -0.10040E-05 472 0.212E-02 0.491E-03
DAV: 21 -0.902725978472E+02 -0.22632E-04 -0.67655E-06 469 0.146E-02 0.177E-03
DAV: 22 -0.902726221157E+02 -0.24269E-04 -0.33356E-06 423 0.745E-03 0.150E-03
DAV: 23 -0.902726294743E+02 -0.73586E-05 -0.13288E-06 488 0.449E-03
1 F= -.90272629E+02 E0= -.90281213E+02 d E =0.257516E-01