iterations/neb0_image07_iter261_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 0.371769274194E+03 0.37177E+03 -0.14325E+04 632 0.799E+02
DAV: 2 0.380884993598E+01 -0.36796E+03 -0.35624E+03 866 0.194E+02
DAV: 3 -0.966773521078E+02 -0.10049E+03 -0.10017E+03 693 0.116E+02
DAV: 4 -0.101198107328E+03 -0.45208E+01 -0.45093E+01 696 0.280E+01
DAV: 5 -0.101287139143E+03 -0.89032E-01 -0.88979E-01 736 0.355E+00 0.227E+01
DAV: 6 -0.926239157011E+02 0.86632E+01 -0.30911E+01 709 0.300E+01 0.119E+01
DAV: 7 -0.917655338135E+02 0.85838E+00 -0.17268E+00 728 0.616E+00 0.481E+00
DAV: 8 -0.913895474182E+02 0.37599E+00 -0.53956E-01 736 0.395E+00 0.162E+00
DAV: 9 -0.913073558626E+02 0.82192E-01 -0.12998E-01 712 0.155E+00 0.421E-01
DAV: 10 -0.912982641879E+02 0.90917E-02 -0.43080E-02 749 0.106E+00 0.296E-01
DAV: 11 -0.913028929857E+02 -0.46288E-02 -0.13440E-02 608 0.599E-01 0.153E-01
DAV: 12 -0.913058945671E+02 -0.30016E-02 -0.28995E-03 623 0.264E-01 0.923E-02
DAV: 13 -0.913095221714E+02 -0.36276E-02 -0.14848E-03 636 0.187E-01 0.495E-02
DAV: 14 -0.913133069302E+02 -0.37848E-02 -0.11556E-03 711 0.241E-01 0.531E-02
DAV: 15 -0.913143642150E+02 -0.10573E-02 -0.39703E-04 696 0.119E-01 0.368E-02
DAV: 16 -0.913151168281E+02 -0.75261E-03 -0.18149E-04 720 0.806E-02 0.130E-02
DAV: 17 -0.913160554860E+02 -0.93866E-03 -0.15159E-04 722 0.660E-02 0.173E-02
DAV: 18 -0.913162988255E+02 -0.24334E-03 -0.27536E-05 616 0.361E-02 0.853E-03
DAV: 19 -0.913164123524E+02 -0.11353E-03 -0.29075E-05 576 0.275E-02 0.429E-03
DAV: 20 -0.913164469731E+02 -0.34621E-04 -0.26306E-06 488 0.107E-02 0.233E-03
DAV: 21 -0.913164696215E+02 -0.22648E-04 -0.26802E-06 440 0.783E-03 0.843E-04
DAV: 22 -0.913164796008E+02 -0.99793E-05 -0.10169E-06 453 0.362E-03
1 F= -.91316480E+02 E0= -.91321345E+02 d E =0.145953E-01