iterations/neb0_image07_iter300_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 0.373506565181E+03 0.37351E+03 -0.14328E+04 632 0.799E+02
DAV: 2 0.391374377771E+01 -0.36959E+03 -0.35850E+03 866 0.194E+02
DAV: 3 -0.965162926096E+02 -0.10043E+03 -0.10010E+03 656 0.117E+02
DAV: 4 -0.101256690958E+03 -0.47404E+01 -0.47280E+01 720 0.293E+01
DAV: 5 -0.101349456699E+03 -0.92766E-01 -0.92726E-01 728 0.369E+00 0.229E+01
DAV: 6 -0.926011336161E+02 0.87483E+01 -0.31040E+01 717 0.302E+01 0.120E+01
DAV: 7 -0.917128508733E+02 0.88828E+00 -0.17433E+00 720 0.616E+00 0.479E+00
DAV: 8 -0.913305317082E+02 0.38232E+00 -0.52813E-01 736 0.388E+00 0.165E+00
DAV: 9 -0.912424468932E+02 0.88085E-01 -0.13480E-01 736 0.155E+00 0.426E-01
DAV: 10 -0.912328913239E+02 0.95556E-02 -0.49835E-02 781 0.116E+00 0.312E-01
DAV: 11 -0.912380342168E+02 -0.51429E-02 -0.16632E-02 602 0.689E-01 0.170E-01
DAV: 12 -0.912404392585E+02 -0.24050E-02 -0.28289E-03 633 0.239E-01 0.130E-01
DAV: 13 -0.912447394110E+02 -0.43002E-02 -0.43811E-03 630 0.341E-01 0.718E-02
DAV: 14 -0.912475262513E+02 -0.27868E-02 -0.84091E-04 696 0.172E-01 0.276E-02
DAV: 15 -0.912499015501E+02 -0.23753E-02 -0.33253E-04 647 0.761E-02 0.201E-02
DAV: 16 -0.912509215900E+02 -0.10200E-02 -0.96307E-05 677 0.550E-02 0.137E-02
DAV: 17 -0.912514464710E+02 -0.52488E-03 -0.96460E-05 639 0.449E-02 0.114E-02
DAV: 18 -0.912515519369E+02 -0.10547E-03 -0.26965E-05 640 0.389E-02 0.400E-03
DAV: 19 -0.912516339991E+02 -0.82062E-04 -0.11889E-05 403 0.154E-02 0.364E-03
DAV: 20 -0.912516576602E+02 -0.23661E-04 -0.32866E-06 496 0.783E-03 0.205E-03
DAV: 21 -0.912516686637E+02 -0.11004E-04 -0.24921E-06 416 0.774E-03 0.610E-04
DAV: 22 -0.912516698284E+02 -0.11646E-05 -0.81013E-07 520 0.441E-03
1 F= -.91251670E+02 E0= -.91256600E+02 d E =0.147917E-01