iterations/neb0_image05_iter6_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 0.359619566575E+03 0.35962E+03 -0.14171E+04 624 0.799E+02
DAV: 2 0.728604435387E+01 -0.35233E+03 -0.33911E+03 858 0.192E+02
DAV: 3 -0.900155842251E+02 -0.97302E+02 -0.96607E+02 704 0.114E+02
DAV: 4 -0.948066474553E+02 -0.47911E+01 -0.47678E+01 704 0.276E+01
DAV: 5 -0.949135321972E+02 -0.10688E+00 -0.10684E+00 725 0.363E+00 0.215E+01
DAV: 6 -0.866667837199E+02 0.82467E+01 -0.31566E+01 701 0.309E+01 0.114E+01
DAV: 7 -0.859049191657E+02 0.76186E+00 -0.21912E+00 720 0.802E+00 0.495E+00
DAV: 8 -0.855220111386E+02 0.38291E+00 -0.68264E-01 728 0.460E+00 0.178E+00
DAV: 9 -0.854511225189E+02 0.70889E-01 -0.16003E-01 720 0.185E+00 0.610E-01
DAV: 10 -0.854379368319E+02 0.13186E-01 -0.58212E-02 720 0.142E+00 0.376E-01
DAV: 11 -0.854376453610E+02 0.29147E-03 -0.11698E-02 664 0.769E-01 0.206E-01
DAV: 12 -0.854410329372E+02 -0.33876E-02 -0.12697E-02 596 0.554E-01 0.179E-01
DAV: 13 -0.854434731768E+02 -0.24402E-02 -0.20819E-03 786 0.318E-01 0.854E-02
DAV: 14 -0.854476025861E+02 -0.41294E-02 -0.25775E-03 627 0.284E-01 0.713E-02
DAV: 15 -0.854489416071E+02 -0.13390E-02 -0.25918E-04 728 0.130E-01 0.436E-02
DAV: 16 -0.854511966619E+02 -0.22551E-02 -0.83203E-04 639 0.170E-01 0.374E-02
DAV: 17 -0.854518005116E+02 -0.60385E-03 -0.12222E-04 808 0.802E-02 0.222E-02
DAV: 18 -0.854525767517E+02 -0.77624E-03 -0.15452E-04 650 0.656E-02 0.107E-02
DAV: 19 -0.854529805987E+02 -0.40385E-03 -0.51225E-05 661 0.338E-02 0.138E-02
DAV: 20 -0.854531387758E+02 -0.15818E-03 -0.20977E-05 520 0.341E-02 0.525E-03
DAV: 21 -0.854531890170E+02 -0.50241E-04 -0.32216E-05 666 0.301E-02 0.825E-03
DAV: 22 -0.854532095521E+02 -0.20535E-04 -0.61789E-06 434 0.214E-02 0.236E-03
DAV: 23 -0.854532205971E+02 -0.11045E-04 -0.39594E-06 458 0.972E-03 0.906E-04
DAV: 24 -0.854532272984E+02 -0.67013E-05 -0.12281E-06 420 0.438E-03
1 F= -.85453227E+02 E0= -.85457131E+02 d E =0.117113E-01