iterations/neb0_image08_iter55_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 0.375619641236E+03 0.37562E+03 -0.14277E+04 624 0.799E+02
DAV: 2 0.376817145977E+01 -0.37185E+03 -0.35821E+03 869 0.196E+02
DAV: 3 -0.966993547941E+02 -0.10047E+03 -0.10014E+03 688 0.117E+02
DAV: 4 -0.101050273257E+03 -0.43509E+01 -0.43409E+01 704 0.276E+01
DAV: 5 -0.101135428666E+03 -0.85155E-01 -0.85121E-01 736 0.346E+00 0.226E+01
DAV: 6 -0.925458606595E+02 0.85896E+01 -0.30816E+01 693 0.302E+01 0.119E+01
DAV: 7 -0.916868436454E+02 0.85902E+00 -0.16714E+00 728 0.614E+00 0.480E+00
DAV: 8 -0.913085338212E+02 0.37831E+00 -0.55869E-01 704 0.403E+00 0.162E+00
DAV: 9 -0.912251816673E+02 0.83352E-01 -0.12776E-01 712 0.153E+00 0.425E-01
DAV: 10 -0.912156803442E+02 0.95013E-02 -0.47492E-02 720 0.111E+00 0.310E-01
DAV: 11 -0.912206192923E+02 -0.49389E-02 -0.14668E-02 616 0.620E-01 0.164E-01
DAV: 12 -0.912235114342E+02 -0.28921E-02 -0.33060E-03 633 0.251E-01 0.132E-01
DAV: 13 -0.912274565747E+02 -0.39451E-02 -0.23494E-03 704 0.281E-01 0.506E-02
DAV: 14 -0.912303342392E+02 -0.28777E-02 -0.48162E-04 656 0.110E-01 0.410E-02
DAV: 15 -0.912325527443E+02 -0.22185E-02 -0.19609E-04 653 0.624E-02 0.341E-02
DAV: 16 -0.912336194649E+02 -0.10667E-02 -0.38256E-04 669 0.958E-02 0.262E-02
DAV: 17 -0.912338745117E+02 -0.25505E-03 -0.59276E-05 656 0.529E-02 0.125E-02
DAV: 18 -0.912341143350E+02 -0.23982E-03 -0.50865E-05 559 0.317E-02 0.887E-03
DAV: 19 -0.912341479215E+02 -0.33586E-04 -0.55577E-06 520 0.196E-02 0.438E-03
DAV: 20 -0.912341842131E+02 -0.36292E-04 -0.14292E-05 398 0.236E-02 0.542E-03
DAV: 21 -0.912342044773E+02 -0.20264E-04 -0.30653E-06 469 0.109E-02 0.386E-03
DAV: 22 -0.912342102112E+02 -0.57339E-05 -0.28950E-06 450 0.104E-02
1 F= -.91234210E+02 E0= -.91239194E+02 d E =0.149509E-01