iterations/neb0_image09_iter10_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 0.372192696087E+03 0.37219E+03 -0.14273E+04 624 0.799E+02
DAV: 2 0.218318259816E+01 -0.37001E+03 -0.35766E+03 874 0.195E+02
DAV: 3 -0.966742075375E+02 -0.98857E+02 -0.98532E+02 672 0.116E+02
DAV: 4 -0.101043364624E+03 -0.43692E+01 -0.43588E+01 704 0.280E+01
DAV: 5 -0.101128899740E+03 -0.85535E-01 -0.85484E-01 736 0.357E+00 0.225E+01
DAV: 6 -0.925120337559E+02 0.86169E+01 -0.30848E+01 704 0.298E+01 0.118E+01
DAV: 7 -0.916601116527E+02 0.85192E+00 -0.17253E+00 720 0.622E+00 0.477E+00
DAV: 8 -0.912883720827E+02 0.37174E+00 -0.54939E-01 712 0.401E+00 0.163E+00
DAV: 9 -0.912085026406E+02 0.79869E-01 -0.12979E-01 712 0.157E+00 0.426E-01
DAV: 10 -0.912002968300E+02 0.82058E-02 -0.37841E-02 744 0.101E+00 0.285E-01
DAV: 11 -0.912050121323E+02 -0.47153E-02 -0.13143E-02 610 0.621E-01 0.165E-01
DAV: 12 -0.912068490424E+02 -0.18369E-02 -0.18877E-03 648 0.243E-01 0.103E-01
DAV: 13 -0.912115097745E+02 -0.46607E-02 -0.38548E-03 627 0.342E-01 0.774E-02
DAV: 14 -0.912126018206E+02 -0.10920E-02 -0.55116E-04 712 0.174E-01 0.417E-02
DAV: 15 -0.912154151460E+02 -0.28133E-02 -0.96751E-04 631 0.182E-01 0.408E-02
DAV: 16 -0.912163481070E+02 -0.93296E-03 -0.12169E-04 752 0.770E-02 0.271E-02
DAV: 17 -0.912172820442E+02 -0.93394E-03 -0.20616E-04 762 0.841E-02 0.986E-03
DAV: 18 -0.912177753476E+02 -0.49330E-03 -0.57060E-05 669 0.333E-02 0.130E-02
DAV: 19 -0.912178790819E+02 -0.10373E-03 -0.50839E-06 496 0.109E-02 0.100E-02
DAV: 20 -0.912179712135E+02 -0.92132E-04 -0.36886E-05 537 0.380E-02 0.488E-03
DAV: 21 -0.912179759648E+02 -0.47514E-05 -0.55199E-06 536 0.131E-02
1 F= -.91217976E+02 E0= -.91222436E+02 d E =0.133809E-01