iterations/neb0_image03_iter202_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 0.364080627357E+03 0.36408E+03 -0.14326E+04 632 0.799E+02
DAV: 2 -0.489844313202E-01 -0.36413E+03 -0.35419E+03 855 0.195E+02
DAV: 3 -0.960208503446E+02 -0.95972E+02 -0.95663E+02 661 0.115E+02
DAV: 4 -0.100282253832E+03 -0.42614E+01 -0.42496E+01 712 0.277E+01
DAV: 5 -0.100366273165E+03 -0.84019E-01 -0.83983E-01 736 0.350E+00 0.222E+01
DAV: 6 -0.917232807678E+02 0.86430E+01 -0.31032E+01 672 0.299E+01 0.117E+01
DAV: 7 -0.908813003793E+02 0.84198E+00 -0.18114E+00 712 0.634E+00 0.483E+00
DAV: 8 -0.904876572520E+02 0.39364E+00 -0.55648E-01 696 0.425E+00 0.170E+00
DAV: 9 -0.903922921901E+02 0.95365E-01 -0.12887E-01 712 0.178E+00 0.441E-01
DAV: 10 -0.903845626168E+02 0.77296E-02 -0.40868E-02 728 0.109E+00 0.329E-01
DAV: 11 -0.903883363016E+02 -0.37737E-02 -0.95346E-03 688 0.655E-01 0.139E-01
DAV: 12 -0.903906135967E+02 -0.22773E-02 -0.37915E-03 629 0.372E-01 0.109E-01
DAV: 13 -0.903954011853E+02 -0.47876E-02 -0.28686E-03 690 0.297E-01 0.890E-02
DAV: 14 -0.903991386731E+02 -0.37375E-02 -0.10373E-03 666 0.175E-01 0.345E-02
DAV: 15 -0.904012341856E+02 -0.20955E-02 -0.35944E-04 656 0.871E-02 0.253E-02
DAV: 16 -0.904028944697E+02 -0.16603E-02 -0.18112E-04 672 0.733E-02 0.906E-03
DAV: 17 -0.904037317688E+02 -0.83730E-03 -0.12476E-04 650 0.468E-02 0.139E-02
DAV: 18 -0.904039138332E+02 -0.18206E-03 -0.27391E-05 600 0.385E-02 0.515E-03
DAV: 19 -0.904040149682E+02 -0.10113E-03 -0.29477E-05 546 0.291E-02 0.966E-03
DAV: 20 -0.904040562235E+02 -0.41255E-04 -0.57693E-06 472 0.187E-02 0.502E-03
DAV: 21 -0.904040847396E+02 -0.28516E-04 -0.91252E-06 431 0.167E-02 0.143E-03
DAV: 22 -0.904040976194E+02 -0.12880E-04 -0.19969E-06 456 0.676E-03 0.403E-04
DAV: 23 -0.904041007880E+02 -0.31686E-05 -0.63744E-07 442 0.276E-03
1 F= -.90404101E+02 E0= -.90412012E+02 d E =0.237329E-01