./iterations/neb0_image07_iter199_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 0.370581236801E+03 0.37058E+03 -0.14319E+04 632 0.799E+02
DAV: 2 0.347916554760E+01 -0.36710E+03 -0.35485E+03 869 0.194E+02
DAV: 3 -0.964888025605E+02 -0.99968E+02 -0.99670E+02 688 0.116E+02
DAV: 4 -0.101047360406E+03 -0.45586E+01 -0.45461E+01 712 0.280E+01
DAV: 5 -0.101139445458E+03 -0.92085E-01 -0.92031E-01 736 0.356E+00 0.226E+01
DAV: 6 -0.925558087632E+02 0.85836E+01 -0.30758E+01 725 0.300E+01 0.118E+01
DAV: 7 -0.917167975959E+02 0.83901E+00 -0.17234E+00 712 0.620E+00 0.479E+00
DAV: 8 -0.913458987235E+02 0.37090E+00 -0.53584E-01 720 0.397E+00 0.162E+00
DAV: 9 -0.912645639407E+02 0.81335E-01 -0.12856E-01 736 0.155E+00 0.419E-01
DAV: 10 -0.912558954694E+02 0.86685E-02 -0.41791E-02 720 0.106E+00 0.291E-01
DAV: 11 -0.912602873957E+02 -0.43919E-02 -0.11591E-02 616 0.552E-01 0.141E-01
DAV: 12 -0.912632598594E+02 -0.29725E-02 -0.25467E-03 637 0.261E-01 0.974E-02
DAV: 13 -0.912669712093E+02 -0.37113E-02 -0.15207E-03 642 0.197E-01 0.504E-02
DAV: 14 -0.912704586645E+02 -0.34875E-02 -0.10134E-03 770 0.236E-01 0.490E-02
DAV: 15 -0.912716416119E+02 -0.11829E-02 -0.39085E-04 688 0.120E-01 0.373E-02
DAV: 16 -0.912725495883E+02 -0.90798E-03 -0.20770E-04 736 0.820E-02 0.139E-02
DAV: 17 -0.912734113333E+02 -0.86174E-03 -0.11367E-04 736 0.529E-02 0.146E-02
DAV: 18 -0.912736734934E+02 -0.26216E-03 -0.24337E-05 560 0.351E-02 0.690E-03
DAV: 19 -0.912738208230E+02 -0.14733E-03 -0.36091E-05 615 0.286E-02 0.680E-03
DAV: 20 -0.912738260801E+02 -0.52571E-05 -0.15333E-06 536 0.119E-02
1 F= -.91273826E+02 E0= -.91278149E+02 d E =0.129700E-01