iterations/neb0_image07_iter34_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 0.376439757117E+03 0.37644E+03 -0.14329E+04 632 0.799E+02
DAV: 2 0.385600201548E+01 -0.37258E+03 -0.35945E+03 861 0.196E+02
DAV: 3 -0.963752501145E+02 -0.10023E+03 -0.99898E+02 664 0.117E+02
DAV: 4 -0.100784976530E+03 -0.44097E+01 -0.43981E+01 728 0.284E+01
DAV: 5 -0.100869679400E+03 -0.84703E-01 -0.84680E-01 728 0.356E+00 0.230E+01
DAV: 6 -0.920902845721E+02 0.87794E+01 -0.30558E+01 671 0.304E+01 0.121E+01
DAV: 7 -0.911784983501E+02 0.91179E+00 -0.17211E+00 720 0.624E+00 0.482E+00
DAV: 8 -0.907944927168E+02 0.38401E+00 -0.56149E-01 696 0.408E+00 0.166E+00
DAV: 9 -0.907080855747E+02 0.86407E-01 -0.13387E-01 720 0.158E+00 0.437E-01
DAV: 10 -0.906979173054E+02 0.10168E-01 -0.41845E-02 760 0.106E+00 0.297E-01
DAV: 11 -0.907024315524E+02 -0.45142E-02 -0.11688E-02 610 0.590E-01 0.152E-01
DAV: 12 -0.907047351974E+02 -0.23036E-02 -0.19753E-03 645 0.223E-01 0.114E-01
DAV: 13 -0.907093839128E+02 -0.46487E-02 -0.28499E-03 633 0.294E-01 0.581E-02
DAV: 14 -0.907112539932E+02 -0.18701E-02 -0.35342E-04 704 0.139E-01 0.339E-02
DAV: 15 -0.907146306940E+02 -0.33767E-02 -0.66528E-04 628 0.132E-01 0.307E-02
DAV: 16 -0.907151977487E+02 -0.56705E-03 -0.52550E-05 712 0.605E-02 0.189E-02
DAV: 17 -0.907161771605E+02 -0.97941E-03 -0.21571E-04 657 0.901E-02 0.173E-02
DAV: 18 -0.907165023856E+02 -0.32523E-03 -0.46193E-05 688 0.501E-02 0.989E-03
DAV: 19 -0.907166158589E+02 -0.11347E-03 -0.15885E-05 464 0.210E-02 0.623E-03
DAV: 20 -0.907166900238E+02 -0.74165E-04 -0.14170E-05 454 0.192E-02 0.246E-03
DAV: 21 -0.907167062153E+02 -0.16192E-04 -0.24357E-06 488 0.913E-03 0.202E-03
DAV: 22 -0.907167256865E+02 -0.19471E-04 -0.36012E-06 397 0.958E-03 0.216E-03
DAV: 23 -0.907167272061E+02 -0.15196E-05 -0.55598E-07 504 0.530E-03
1 F= -.90716727E+02 E0= -.90722326E+02 d E =0.167973E-01