./iterations/neb0_image07_iter153_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 0.371477558000E+03 0.37148E+03 -0.14317E+04 632 0.799E+02
DAV: 2 0.347015514608E+01 -0.36801E+03 -0.35552E+03 869 0.194E+02
DAV: 3 -0.963358733608E+02 -0.99806E+02 -0.99485E+02 677 0.116E+02
DAV: 4 -0.100996301216E+03 -0.46604E+01 -0.46478E+01 704 0.284E+01
DAV: 5 -0.101092170605E+03 -0.95869E-01 -0.95799E-01 736 0.363E+00 0.226E+01
DAV: 6 -0.925061273172E+02 0.85860E+01 -0.30551E+01 712 0.299E+01 0.118E+01
DAV: 7 -0.916575702271E+02 0.84856E+00 -0.17268E+00 712 0.618E+00 0.478E+00
DAV: 8 -0.912883145152E+02 0.36926E+00 -0.52563E-01 728 0.394E+00 0.164E+00
DAV: 9 -0.912067496864E+02 0.81565E-01 -0.12976E-01 720 0.157E+00 0.423E-01
DAV: 10 -0.911982302239E+02 0.85195E-02 -0.38060E-02 762 0.104E+00 0.282E-01
DAV: 11 -0.912023067590E+02 -0.40765E-02 -0.96003E-03 608 0.522E-01 0.129E-01
DAV: 12 -0.912051315155E+02 -0.28248E-02 -0.21907E-03 635 0.253E-01 0.904E-02
DAV: 13 -0.912089439828E+02 -0.38125E-02 -0.12353E-03 639 0.177E-01 0.553E-02
DAV: 14 -0.912114193380E+02 -0.24754E-02 -0.45500E-04 800 0.152E-01 0.286E-02
DAV: 15 -0.912135826884E+02 -0.21634E-02 -0.24609E-04 647 0.820E-02 0.286E-02
DAV: 16 -0.912150093111E+02 -0.14266E-02 -0.14829E-04 677 0.576E-02 0.135E-02
DAV: 17 -0.912156394377E+02 -0.63013E-03 -0.88699E-05 712 0.463E-02 0.117E-02
DAV: 18 -0.912158858857E+02 -0.24645E-03 -0.32629E-05 562 0.304E-02 0.469E-03
DAV: 19 -0.912159549850E+02 -0.69099E-04 -0.81662E-06 472 0.141E-02 0.340E-03
DAV: 20 -0.912159737768E+02 -0.18792E-04 -0.29090E-06 472 0.120E-02 0.173E-03
DAV: 21 -0.912159853499E+02 -0.11573E-04 -0.23350E-06 420 0.877E-03 0.193E-03
DAV: 22 -0.912159932178E+02 -0.78679E-05 -0.12276E-06 436 0.654E-03
1 F= -.91215993E+02 E0= -.91221811E+02 d E =0.174535E-01