./iterations/neb0_image06_iter62_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 0.375589349294E+03 0.37559E+03 -0.14310E+04 632 0.799E+02
DAV: 2 0.419630126722E+01 -0.37139E+03 -0.35909E+03 869 0.195E+02
DAV: 3 -0.955123806319E+02 -0.99709E+02 -0.99382E+02 656 0.117E+02
DAV: 4 -0.100070265063E+03 -0.45579E+01 -0.45465E+01 704 0.290E+01
DAV: 5 -0.100163694695E+03 -0.93430E-01 -0.93393E-01 728 0.370E+00 0.226E+01
DAV: 6 -0.915533335383E+02 0.86104E+01 -0.30734E+01 669 0.305E+01 0.117E+01
DAV: 7 -0.907094509649E+02 0.84388E+00 -0.16875E+00 728 0.625E+00 0.481E+00
DAV: 8 -0.903246854657E+02 0.38477E+00 -0.53216E-01 696 0.405E+00 0.165E+00
DAV: 9 -0.902342798268E+02 0.90406E-01 -0.13060E-01 720 0.171E+00 0.435E-01
DAV: 10 -0.902247547630E+02 0.95251E-02 -0.33511E-02 760 0.941E-01 0.296E-01
DAV: 11 -0.902284229883E+02 -0.36682E-02 -0.12626E-02 680 0.763E-01 0.179E-01
DAV: 12 -0.902293669109E+02 -0.94392E-03 -0.32710E-03 680 0.404E-01 0.113E-01
DAV: 13 -0.902339696153E+02 -0.46027E-02 -0.40011E-03 616 0.329E-01 0.123E-01
DAV: 14 -0.902362643565E+02 -0.22947E-02 -0.12237E-03 712 0.177E-01 0.499E-02
DAV: 15 -0.902395490620E+02 -0.32847E-02 -0.83438E-04 754 0.172E-01 0.375E-02
DAV: 16 -0.902412141813E+02 -0.16651E-02 -0.17335E-04 680 0.821E-02 0.231E-02
DAV: 17 -0.902420041828E+02 -0.79000E-03 -0.11142E-04 728 0.579E-02 0.173E-02
DAV: 18 -0.902427530218E+02 -0.74884E-03 -0.10384E-04 639 0.505E-02 0.116E-02
DAV: 19 -0.902428744267E+02 -0.12140E-03 -0.10808E-05 520 0.249E-02 0.807E-03
DAV: 20 -0.902429905971E+02 -0.11617E-03 -0.32969E-05 545 0.335E-02 0.641E-03
DAV: 21 -0.902430197106E+02 -0.29113E-04 -0.46150E-06 496 0.180E-02 0.324E-03
DAV: 22 -0.902430397478E+02 -0.20037E-04 -0.55235E-06 403 0.136E-02 0.171E-03
DAV: 23 -0.902430530633E+02 -0.13315E-04 -0.18177E-06 469 0.677E-03 0.180E-03
DAV: 24 -0.902430567005E+02 -0.36372E-05 -0.54733E-07 468 0.488E-03
1 F= -.90243057E+02 E0= -.90252607E+02 d E =0.286499E-01