./iterations/neb0_image03_iter238_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 0.363333850511E+03 0.36333E+03 -0.14325E+04 632 0.799E+02
DAV: 2 0.453407766506E+00 -0.36288E+03 -0.35227E+03 850 0.195E+02
DAV: 3 -0.960374187489E+02 -0.96491E+02 -0.96180E+02 672 0.115E+02
DAV: 4 -0.100304303089E+03 -0.42669E+01 -0.42563E+01 712 0.275E+01
DAV: 5 -0.100388147215E+03 -0.83844E-01 -0.83814E-01 728 0.345E+00 0.222E+01
DAV: 6 -0.917277555248E+02 0.86604E+01 -0.31202E+01 669 0.299E+01 0.117E+01
DAV: 7 -0.908848624816E+02 0.84289E+00 -0.17953E+00 720 0.633E+00 0.484E+00
DAV: 8 -0.904913492585E+02 0.39351E+00 -0.56107E-01 704 0.429E+00 0.169E+00
DAV: 9 -0.903994539431E+02 0.91895E-01 -0.13122E-01 712 0.168E+00 0.436E-01
DAV: 10 -0.903925144075E+02 0.69395E-02 -0.47371E-02 704 0.118E+00 0.335E-01
DAV: 11 -0.903971670340E+02 -0.46526E-02 -0.90097E-03 632 0.649E-01 0.121E-01
DAV: 12 -0.903998464223E+02 -0.26794E-02 -0.43690E-03 632 0.313E-01 0.113E-01
DAV: 13 -0.904043526401E+02 -0.45062E-02 -0.18585E-03 698 0.288E-01 0.868E-02
DAV: 14 -0.904073684635E+02 -0.30158E-02 -0.10162E-03 680 0.148E-01 0.502E-02
DAV: 15 -0.904097386363E+02 -0.23702E-02 -0.44753E-04 653 0.111E-01 0.238E-02
DAV: 16 -0.904110295861E+02 -0.12909E-02 -0.18676E-04 672 0.652E-02 0.195E-02
DAV: 17 -0.904117851673E+02 -0.75558E-03 -0.12045E-04 658 0.611E-02 0.102E-02
DAV: 18 -0.904119801811E+02 -0.19501E-03 -0.32913E-05 624 0.312E-02 0.106E-02
DAV: 19 -0.904120453537E+02 -0.65173E-04 -0.10323E-05 464 0.229E-02 0.441E-03
DAV: 20 -0.904121188022E+02 -0.73449E-04 -0.13617E-05 458 0.197E-02 0.281E-03
DAV: 21 -0.904121543783E+02 -0.35576E-04 -0.50810E-06 477 0.106E-02 0.224E-03
DAV: 22 -0.904121601370E+02 -0.57587E-05 -0.11158E-06 544 0.501E-03
1 F= -.90412160E+02 E0= -.90419929E+02 d E =0.233075E-01