iterations/neb0_image06_iter182_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 0.371042183454E+03 0.37104E+03 -0.14348E+04 640 0.799E+02
DAV: 2 0.381882531675E+01 -0.36722E+03 -0.35526E+03 869 0.193E+02
DAV: 3 -0.960335792229E+02 -0.99852E+02 -0.99507E+02 693 0.116E+02
DAV: 4 -0.100508254596E+03 -0.44747E+01 -0.44632E+01 720 0.277E+01
DAV: 5 -0.100596292154E+03 -0.88038E-01 -0.87997E-01 720 0.348E+00 0.226E+01
DAV: 6 -0.920530664839E+02 0.85432E+01 -0.30530E+01 693 0.301E+01 0.118E+01
DAV: 7 -0.912198290930E+02 0.83324E+00 -0.17177E+00 728 0.625E+00 0.481E+00
DAV: 8 -0.908423120225E+02 0.37752E+00 -0.55455E-01 704 0.413E+00 0.164E+00
DAV: 9 -0.907551021200E+02 0.87210E-01 -0.12728E-01 712 0.158E+00 0.422E-01
DAV: 10 -0.907450725576E+02 0.10030E-01 -0.36279E-02 736 0.948E-01 0.283E-01
DAV: 11 -0.907490276971E+02 -0.39551E-02 -0.87529E-03 596 0.474E-01 0.137E-01
DAV: 12 -0.907520976643E+02 -0.30700E-02 -0.22770E-03 620 0.265E-01 0.818E-02
DAV: 13 -0.907557956200E+02 -0.36980E-02 -0.12643E-03 636 0.161E-01 0.660E-02
DAV: 14 -0.907594818730E+02 -0.36863E-02 -0.13481E-03 720 0.241E-01 0.459E-02
DAV: 15 -0.907608772908E+02 -0.13954E-02 -0.23724E-04 744 0.985E-02 0.406E-02
DAV: 16 -0.907623637019E+02 -0.14864E-02 -0.42977E-04 682 0.122E-01 0.206E-02
DAV: 17 -0.907630869252E+02 -0.72322E-03 -0.11688E-04 704 0.639E-02 0.125E-02
DAV: 18 -0.907633174307E+02 -0.23051E-03 -0.27929E-05 616 0.243E-02 0.753E-03
DAV: 19 -0.907634681812E+02 -0.15075E-03 -0.17392E-05 452 0.172E-02 0.279E-03
DAV: 20 -0.907634919324E+02 -0.23751E-04 -0.28113E-06 504 0.813E-03 0.133E-03
DAV: 21 -0.907635212755E+02 -0.29343E-04 -0.43835E-06 389 0.799E-03 0.148E-03
DAV: 22 -0.907635228114E+02 -0.15359E-05 -0.67335E-07 528 0.527E-03
1 F= -.90763523E+02 E0= -.90768037E+02 d E =0.135426E-01