./iterations/neb0_image03_iter22_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 0.364147786762E+03 0.36415E+03 -0.14293E+04 632 0.799E+02
DAV: 2 0.423851674950E+01 -0.35991E+03 -0.34683E+03 837 0.194E+02
DAV: 3 -0.950126663371E+02 -0.99251E+02 -0.98896E+02 693 0.116E+02
DAV: 4 -0.994278607210E+02 -0.44152E+01 -0.44034E+01 728 0.274E+01
DAV: 5 -0.995134639881E+02 -0.85603E-01 -0.85559E-01 736 0.343E+00 0.220E+01
DAV: 6 -0.909778943991E+02 0.85356E+01 -0.30567E+01 685 0.297E+01 0.114E+01
DAV: 7 -0.901441768280E+02 0.83372E+00 -0.17299E+00 736 0.645E+00 0.483E+00
DAV: 8 -0.897428700421E+02 0.40131E+00 -0.63067E-01 728 0.457E+00 0.162E+00
DAV: 9 -0.896563116680E+02 0.86558E-01 -0.13258E-01 728 0.166E+00 0.448E-01
DAV: 10 -0.896483026745E+02 0.80090E-02 -0.43828E-02 728 0.115E+00 0.328E-01
DAV: 11 -0.896518653379E+02 -0.35627E-02 -0.66183E-03 616 0.499E-01 0.121E-01
DAV: 12 -0.896549499196E+02 -0.30846E-02 -0.53036E-03 631 0.342E-01 0.125E-01
DAV: 13 -0.896583408044E+02 -0.33909E-02 -0.17700E-03 840 0.345E-01 0.789E-02
DAV: 14 -0.896614897216E+02 -0.31489E-02 -0.10127E-03 641 0.140E-01 0.552E-02
DAV: 15 -0.896640205758E+02 -0.25309E-02 -0.50084E-04 688 0.128E-01 0.296E-02
DAV: 16 -0.896653095494E+02 -0.12890E-02 -0.25509E-04 696 0.805E-02 0.258E-02
DAV: 17 -0.896660291644E+02 -0.71962E-03 -0.77077E-05 672 0.508E-02 0.122E-02
DAV: 18 -0.896664638325E+02 -0.43467E-03 -0.97744E-05 677 0.477E-02 0.126E-02
DAV: 19 -0.896665006702E+02 -0.36838E-04 -0.60060E-06 528 0.209E-02 0.780E-03
DAV: 20 -0.896665753360E+02 -0.74666E-04 -0.35882E-05 637 0.333E-02 0.806E-03
DAV: 21 -0.896666054454E+02 -0.30109E-04 -0.66710E-06 480 0.213E-02 0.272E-03
DAV: 22 -0.896666280230E+02 -0.22578E-04 -0.83850E-06 453 0.147E-02 0.224E-03
DAV: 23 -0.896666331729E+02 -0.51499E-05 -0.12259E-06 504 0.512E-03
1 F= -.89666633E+02 E0= -.89674538E+02 d E =0.237151E-01