./iterations/neb0_image05_iter46_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 0.373353664165E+03 0.37335E+03 -0.14312E+04 632 0.799E+02
DAV: 2 0.437839945435E+01 -0.36898E+03 -0.35712E+03 877 0.195E+02
DAV: 3 -0.936718410683E+02 -0.98050E+02 -0.97694E+02 637 0.116E+02
DAV: 4 -0.984043312771E+02 -0.47325E+01 -0.47184E+01 720 0.299E+01
DAV: 5 -0.985048681825E+02 -0.10054E+00 -0.10050E+00 704 0.390E+00 0.220E+01
DAV: 6 -0.902145179197E+02 0.82904E+01 -0.29031E+01 682 0.294E+01 0.113E+01
DAV: 7 -0.893669484991E+02 0.84757E+00 -0.17156E+00 720 0.657E+00 0.467E+00
DAV: 8 -0.889886361763E+02 0.37831E+00 -0.59080E-01 696 0.425E+00 0.162E+00
DAV: 9 -0.889005594496E+02 0.88077E-01 -0.12975E-01 720 0.160E+00 0.441E-01
DAV: 10 -0.888900233280E+02 0.10536E-01 -0.30619E-02 720 0.926E-01 0.296E-01
DAV: 11 -0.888923365046E+02 -0.23132E-02 -0.10287E-02 613 0.640E-01 0.137E-01
DAV: 12 -0.888942909957E+02 -0.19545E-02 -0.23010E-03 696 0.277E-01 0.100E-01
DAV: 13 -0.888995090654E+02 -0.52181E-02 -0.30983E-03 625 0.323E-01 0.925E-02
DAV: 14 -0.889015236401E+02 -0.20146E-02 -0.63941E-04 784 0.184E-01 0.459E-02
DAV: 15 -0.889045232171E+02 -0.29996E-02 -0.13021E-03 631 0.209E-01 0.528E-02
DAV: 16 -0.889057736631E+02 -0.12504E-02 -0.37369E-04 965 0.146E-01 0.211E-02
DAV: 17 -0.889067828714E+02 -0.10092E-02 -0.21517E-04 655 0.826E-02 0.196E-02
DAV: 18 -0.889074032706E+02 -0.62040E-03 -0.92715E-05 666 0.474E-02 0.142E-02
DAV: 19 -0.889075834496E+02 -0.18018E-03 -0.47641E-05 677 0.433E-02 0.604E-03
DAV: 20 -0.889076980552E+02 -0.11461E-03 -0.11676E-05 444 0.210E-02 0.385E-03
DAV: 21 -0.889077533827E+02 -0.55327E-04 -0.85145E-06 455 0.120E-02 0.312E-03
DAV: 22 -0.889077693340E+02 -0.15951E-04 -0.26099E-06 488 0.936E-03 0.106E-03
DAV: 23 -0.889077745226E+02 -0.51886E-05 -0.23244E-06 453 0.855E-03
1 F= -.88907775E+02 E0= -.88911684E+02 d E =0.117298E-01