iterations/neb0_image08_iter107_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 0.376200055384E+03 0.37620E+03 -0.14285E+04 624 0.799E+02
DAV: 2 0.347201026654E+01 -0.37273E+03 -0.35973E+03 869 0.196E+02
DAV: 3 -0.968461182886E+02 -0.10032E+03 -0.99980E+02 688 0.117E+02
DAV: 4 -0.101208766438E+03 -0.43626E+01 -0.43524E+01 696 0.275E+01
DAV: 5 -0.101294914480E+03 -0.86148E-01 -0.86113E-01 736 0.346E+00 0.228E+01
DAV: 6 -0.926238718906E+02 0.86710E+01 -0.30804E+01 714 0.302E+01 0.119E+01
DAV: 7 -0.917452828169E+02 0.87859E+00 -0.17157E+00 720 0.616E+00 0.481E+00
DAV: 8 -0.913655227160E+02 0.37976E+00 -0.55444E-01 712 0.401E+00 0.163E+00
DAV: 9 -0.912825767501E+02 0.82946E-01 -0.13193E-01 712 0.157E+00 0.425E-01
DAV: 10 -0.912735876924E+02 0.89891E-02 -0.46910E-02 760 0.114E+00 0.307E-01
DAV: 11 -0.912782251673E+02 -0.46375E-02 -0.13925E-02 616 0.616E-01 0.152E-01
DAV: 12 -0.912810420684E+02 -0.28169E-02 -0.29289E-03 609 0.248E-01 0.117E-01
DAV: 13 -0.912847557724E+02 -0.37137E-02 -0.16754E-03 663 0.224E-01 0.466E-02
DAV: 14 -0.912880785249E+02 -0.33228E-02 -0.65490E-04 672 0.151E-01 0.339E-02
DAV: 15 -0.912896646520E+02 -0.15861E-02 -0.19162E-04 664 0.817E-02 0.386E-02
DAV: 16 -0.912909640188E+02 -0.12994E-02 -0.36107E-04 650 0.101E-01 0.184E-02
DAV: 17 -0.912913324043E+02 -0.36839E-03 -0.59528E-05 688 0.549E-02 0.146E-02
DAV: 18 -0.912915566817E+02 -0.22428E-03 -0.38846E-05 621 0.305E-02 0.122E-02
DAV: 19 -0.912916785714E+02 -0.12189E-03 -0.13918E-05 472 0.192E-02 0.532E-03
DAV: 20 -0.912917163431E+02 -0.37772E-04 -0.95011E-06 456 0.184E-02 0.224E-03
DAV: 21 -0.912917406114E+02 -0.24268E-04 -0.55390E-06 414 0.120E-02 0.293E-03
DAV: 22 -0.912917442651E+02 -0.36537E-05 -0.92055E-07 504 0.515E-03
1 F= -.91291744E+02 E0= -.91296662E+02 d E =0.147542E-01