iterations/neb0_image06_iter225_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 0.370455389465E+03 0.37046E+03 -0.14350E+04 640 0.799E+02
DAV: 2 0.360679857736E+01 -0.36685E+03 -0.35482E+03 869 0.193E+02
DAV: 3 -0.955102916561E+02 -0.99117E+02 -0.98767E+02 656 0.116E+02
DAV: 4 -0.100285586452E+03 -0.47753E+01 -0.47607E+01 728 0.290E+01
DAV: 5 -0.100384752515E+03 -0.99166E-01 -0.99118E-01 733 0.373E+00 0.225E+01
DAV: 6 -0.918236540853E+02 0.85611E+01 -0.30332E+01 704 0.301E+01 0.118E+01
DAV: 7 -0.909920418924E+02 0.83161E+00 -0.17564E+00 704 0.630E+00 0.481E+00
DAV: 8 -0.906149854779E+02 0.37706E+00 -0.56326E-01 696 0.418E+00 0.166E+00
DAV: 9 -0.905262330141E+02 0.88752E-01 -0.12892E-01 720 0.160E+00 0.429E-01
DAV: 10 -0.905160889963E+02 0.10144E-01 -0.36024E-02 744 0.937E-01 0.286E-01
DAV: 11 -0.905202199418E+02 -0.41309E-02 -0.97941E-03 602 0.514E-01 0.152E-01
DAV: 12 -0.905226887962E+02 -0.24689E-02 -0.28477E-03 632 0.305E-01 0.824E-02
DAV: 13 -0.905265867847E+02 -0.38980E-02 -0.16747E-03 633 0.188E-01 0.692E-02
DAV: 14 -0.905300209544E+02 -0.34342E-02 -0.10473E-03 720 0.232E-01 0.392E-02
DAV: 15 -0.905318229934E+02 -0.18020E-02 -0.29086E-04 714 0.101E-01 0.367E-02
DAV: 16 -0.905334241854E+02 -0.16012E-02 -0.36888E-04 703 0.112E-01 0.177E-02
DAV: 17 -0.905341357336E+02 -0.71155E-03 -0.10328E-04 709 0.557E-02 0.131E-02
DAV: 18 -0.905343590917E+02 -0.22336E-03 -0.20687E-05 552 0.188E-02 0.826E-03
DAV: 19 -0.905344925868E+02 -0.13350E-03 -0.23918E-05 487 0.259E-02 0.222E-03
DAV: 20 -0.905345190067E+02 -0.26420E-04 -0.51218E-06 480 0.110E-02 0.332E-03
DAV: 21 -0.905345295230E+02 -0.10516E-04 -0.15075E-06 404 0.595E-03 0.204E-03
DAV: 22 -0.905345316095E+02 -0.20865E-05 -0.15225E-06 480 0.747E-03
1 F= -.90534532E+02 E0= -.90539443E+02 d E =0.147350E-01