./iterations/neb0_image07_iter105_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 0.377693711189E+03 0.37769E+03 -0.14285E+04 624 0.799E+02
DAV: 2 0.340088290736E+01 -0.37429E+03 -0.36229E+03 877 0.196E+02
DAV: 3 -0.964181722381E+02 -0.99819E+02 -0.99483E+02 656 0.117E+02
DAV: 4 -0.101015500060E+03 -0.45973E+01 -0.45865E+01 688 0.290E+01
DAV: 5 -0.101107864177E+03 -0.92364E-01 -0.92325E-01 728 0.370E+00 0.228E+01
DAV: 6 -0.924334780299E+02 0.86744E+01 -0.30696E+01 701 0.303E+01 0.119E+01
DAV: 7 -0.915538073001E+02 0.87967E+00 -0.16890E+00 728 0.614E+00 0.482E+00
DAV: 8 -0.911709781215E+02 0.38283E+00 -0.55746E-01 704 0.403E+00 0.163E+00
DAV: 9 -0.910868370428E+02 0.84141E-01 -0.13267E-01 728 0.155E+00 0.426E-01
DAV: 10 -0.910775750323E+02 0.92620E-02 -0.47624E-02 741 0.113E+00 0.310E-01
DAV: 11 -0.910820482731E+02 -0.44732E-02 -0.12215E-02 608 0.581E-01 0.134E-01
DAV: 12 -0.910853260807E+02 -0.32778E-02 -0.36064E-03 613 0.275E-01 0.146E-01
DAV: 13 -0.910891306076E+02 -0.38045E-02 -0.27267E-03 728 0.324E-01 0.560E-02
DAV: 14 -0.910916883816E+02 -0.25578E-02 -0.61104E-04 653 0.115E-01 0.588E-02
DAV: 15 -0.910942803262E+02 -0.25919E-02 -0.32225E-04 637 0.907E-02 0.331E-02
DAV: 16 -0.910952972492E+02 -0.10169E-02 -0.38886E-04 680 0.978E-02 0.303E-02
DAV: 17 -0.910957841537E+02 -0.48690E-03 -0.12530E-04 640 0.722E-02 0.102E-02
DAV: 18 -0.910959513304E+02 -0.16718E-03 -0.24862E-05 584 0.270E-02 0.724E-03
DAV: 19 -0.910960256238E+02 -0.74293E-04 -0.13138E-05 440 0.215E-02 0.222E-03
DAV: 20 -0.910960684622E+02 -0.42838E-04 -0.56772E-06 437 0.107E-02 0.216E-03
DAV: 21 -0.910960804449E+02 -0.11983E-04 -0.14280E-06 488 0.563E-03 0.136E-03
DAV: 22 -0.910960863433E+02 -0.58984E-05 -0.13172E-06 411 0.620E-03
1 F= -.91096086E+02 E0= -.91100798E+02 d E =0.141340E-01