./iterations/neb0_image03_iter42_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 0.369061507871E+03 0.36906E+03 -0.14325E+04 632 0.799E+02
DAV: 2 0.422945432696E+01 -0.36483E+03 -0.35165E+03 845 0.195E+02
DAV: 3 -0.952001571991E+02 -0.99430E+02 -0.99092E+02 648 0.116E+02
DAV: 4 -0.999979087497E+02 -0.47978E+01 -0.47872E+01 712 0.297E+01
DAV: 5 -0.100091264801E+03 -0.93356E-01 -0.93316E-01 736 0.375E+00 0.224E+01
DAV: 6 -0.914768010230E+02 0.86145E+01 -0.30357E+01 685 0.296E+01 0.117E+01
DAV: 7 -0.906080486708E+02 0.86875E+00 -0.18132E+00 704 0.635E+00 0.482E+00
DAV: 8 -0.902066954343E+02 0.40135E+00 -0.56312E-01 704 0.425E+00 0.166E+00
DAV: 9 -0.901133807704E+02 0.93315E-01 -0.13898E-01 704 0.166E+00 0.435E-01
DAV: 10 -0.901057797030E+02 0.76011E-02 -0.47545E-02 720 0.118E+00 0.334E-01
DAV: 11 -0.901097241869E+02 -0.39445E-02 -0.86590E-03 605 0.592E-01 0.116E-01
DAV: 12 -0.901121151022E+02 -0.23909E-02 -0.41385E-03 648 0.291E-01 0.120E-01
DAV: 13 -0.901156411191E+02 -0.35260E-02 -0.13261E-03 821 0.278E-01 0.693E-02
DAV: 14 -0.901192873679E+02 -0.36462E-02 -0.10415E-03 658 0.147E-01 0.507E-02
DAV: 15 -0.901217417706E+02 -0.24544E-02 -0.25855E-04 664 0.895E-02 0.264E-02
DAV: 16 -0.901234252590E+02 -0.16835E-02 -0.37090E-04 677 0.100E-01 0.297E-02
DAV: 17 -0.901238340081E+02 -0.40875E-03 -0.10680E-04 768 0.809E-02 0.150E-02
DAV: 18 -0.901243212762E+02 -0.48727E-03 -0.12063E-04 650 0.632E-02 0.159E-02
DAV: 19 -0.901244063262E+02 -0.85050E-04 -0.17525E-05 533 0.377E-02 0.800E-03
DAV: 20 -0.901244712056E+02 -0.64879E-04 -0.35351E-05 610 0.334E-02 0.753E-03
DAV: 21 -0.901245215724E+02 -0.50367E-04 -0.52937E-06 439 0.266E-02 0.375E-03
DAV: 22 -0.901245357913E+02 -0.14219E-04 -0.12522E-05 517 0.221E-02 0.416E-03
DAV: 23 -0.901245374557E+02 -0.16644E-05 -0.15095E-06 434 0.186E-02
1 F= -.90124537E+02 E0= -.90135807E+02 d E =0.338073E-01