iterations/neb0_image07_iter288_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 0.372794454703E+03 0.37279E+03 -0.14326E+04 632 0.799E+02
DAV: 2 0.410242931567E+01 -0.36869E+03 -0.35777E+03 855 0.194E+02
DAV: 3 -0.964058389973E+02 -0.10051E+03 -0.10018E+03 656 0.117E+02
DAV: 4 -0.101234524442E+03 -0.48287E+01 -0.48159E+01 712 0.294E+01
DAV: 5 -0.101331334085E+03 -0.96810E-01 -0.96767E-01 728 0.372E+00 0.228E+01
DAV: 6 -0.926177987137E+02 0.87135E+01 -0.30998E+01 720 0.301E+01 0.119E+01
DAV: 7 -0.917344155326E+02 0.88338E+00 -0.17223E+00 720 0.614E+00 0.479E+00
DAV: 8 -0.913547813256E+02 0.37963E+00 -0.53659E-01 736 0.393E+00 0.163E+00
DAV: 9 -0.912697597164E+02 0.85022E-01 -0.12946E-01 728 0.152E+00 0.424E-01
DAV: 10 -0.912601375481E+02 0.96222E-02 -0.45844E-02 760 0.110E+00 0.301E-01
DAV: 11 -0.912652752877E+02 -0.51377E-02 -0.14496E-02 610 0.628E-01 0.163E-01
DAV: 12 -0.912679550079E+02 -0.26797E-02 -0.29098E-03 622 0.234E-01 0.112E-01
DAV: 13 -0.912721830409E+02 -0.42280E-02 -0.33123E-03 633 0.296E-01 0.662E-02
DAV: 14 -0.912750661160E+02 -0.28831E-02 -0.99660E-04 688 0.186E-01 0.277E-02
DAV: 15 -0.912771663322E+02 -0.21002E-02 -0.27366E-04 645 0.738E-02 0.224E-02
DAV: 16 -0.912780580656E+02 -0.89173E-03 -0.97422E-05 688 0.604E-02 0.139E-02
DAV: 17 -0.912785978459E+02 -0.53978E-03 -0.11913E-04 629 0.509E-02 0.145E-02
DAV: 18 -0.912787053051E+02 -0.10746E-03 -0.22839E-05 640 0.351E-02 0.308E-03
DAV: 19 -0.912787835956E+02 -0.78291E-04 -0.17370E-05 412 0.215E-02 0.472E-03
DAV: 20 -0.912788071005E+02 -0.23505E-04 -0.38005E-06 488 0.918E-03 0.414E-03
DAV: 21 -0.912788128660E+02 -0.57656E-05 -0.23385E-06 442 0.112E-02
1 F= -.91278813E+02 E0= -.91283757E+02 d E =0.148319E-01