iterations/neb0_image06_iter44_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 0.377180556979E+03 0.37718E+03 -0.14325E+04 632 0.799E+02
DAV: 2 0.484908910414E+01 -0.37233E+03 -0.35907E+03 861 0.196E+02
DAV: 3 -0.956575036277E+02 -0.10051E+03 -0.10018E+03 656 0.117E+02
DAV: 4 -0.100117411219E+03 -0.44599E+01 -0.44490E+01 712 0.291E+01
DAV: 5 -0.100204461958E+03 -0.87051E-01 -0.87022E-01 728 0.366E+00 0.229E+01
DAV: 6 -0.914582051981E+02 0.87463E+01 -0.30628E+01 674 0.306E+01 0.119E+01
DAV: 7 -0.905756881834E+02 0.88252E+00 -0.17372E+00 728 0.640E+00 0.481E+00
DAV: 8 -0.901892317384E+02 0.38646E+00 -0.50746E-01 696 0.397E+00 0.170E+00
DAV: 9 -0.900989084420E+02 0.90323E-01 -0.14516E-01 720 0.182E+00 0.468E-01
DAV: 10 -0.900892196629E+02 0.96888E-02 -0.23392E-02 728 0.101E+00 0.288E-01
DAV: 11 -0.900908834089E+02 -0.16637E-02 -0.12319E-02 624 0.618E-01 0.181E-01
DAV: 12 -0.900931120146E+02 -0.22286E-02 -0.23615E-03 706 0.391E-01 0.104E-01
DAV: 13 -0.900968303937E+02 -0.37184E-02 -0.27807E-03 630 0.296E-01 0.111E-01
DAV: 14 -0.900999222171E+02 -0.30918E-02 -0.75804E-04 680 0.140E-01 0.579E-02
DAV: 15 -0.901033865829E+02 -0.34644E-02 -0.15987E-03 645 0.216E-01 0.638E-02
DAV: 16 -0.901047047201E+02 -0.13181E-02 -0.35229E-04 696 0.111E-01 0.312E-02
DAV: 17 -0.901060470721E+02 -0.13424E-02 -0.29028E-04 666 0.932E-02 0.165E-02
DAV: 18 -0.901065147576E+02 -0.46769E-03 -0.45870E-05 696 0.363E-02 0.181E-02
DAV: 19 -0.901068324221E+02 -0.31766E-03 -0.64356E-05 639 0.458E-02 0.583E-03
DAV: 20 -0.901069331896E+02 -0.10077E-03 -0.97747E-06 512 0.172E-02 0.419E-03
DAV: 21 -0.901069805953E+02 -0.47406E-04 -0.71240E-06 412 0.133E-02 0.339E-03
DAV: 22 -0.901069985111E+02 -0.17916E-04 -0.39382E-06 482 0.102E-02 0.187E-03
DAV: 23 -0.901070042104E+02 -0.56993E-05 -0.11532E-06 456 0.553E-03
1 F= -.90107004E+02 E0= -.90118202E+02 d E =0.335941E-01