./iterations/neb0_image08_iter226_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 0.373441400236E+03 0.37344E+03 -0.14278E+04 624 0.799E+02
DAV: 2 0.268057282347E+01 -0.37076E+03 -0.35907E+03 877 0.196E+02
DAV: 3 -0.966317488081E+02 -0.99312E+02 -0.99008E+02 656 0.116E+02
DAV: 4 -0.101213631956E+03 -0.45819E+01 -0.45698E+01 728 0.290E+01
DAV: 5 -0.101303985763E+03 -0.90354E-01 -0.90306E-01 728 0.367E+00 0.227E+01
DAV: 6 -0.926432393747E+02 0.86607E+01 -0.30984E+01 714 0.300E+01 0.118E+01
DAV: 7 -0.917866954381E+02 0.85654E+00 -0.17203E+00 720 0.613E+00 0.479E+00
DAV: 8 -0.914130556500E+02 0.37364E+00 -0.54634E-01 720 0.396E+00 0.161E+00
DAV: 9 -0.913336171523E+02 0.79438E-01 -0.12974E-01 728 0.153E+00 0.418E-01
DAV: 10 -0.913258043926E+02 0.78128E-02 -0.43819E-02 736 0.106E+00 0.298E-01
DAV: 11 -0.913306542918E+02 -0.48499E-02 -0.12766E-02 608 0.585E-01 0.142E-01
DAV: 12 -0.913336679903E+02 -0.30137E-02 -0.26650E-03 634 0.222E-01 0.114E-01
DAV: 13 -0.913373685650E+02 -0.37006E-02 -0.24710E-03 639 0.261E-01 0.521E-02
DAV: 14 -0.913403525897E+02 -0.29840E-02 -0.65984E-04 664 0.149E-01 0.236E-02
DAV: 15 -0.913418140025E+02 -0.14614E-02 -0.14106E-04 656 0.596E-02 0.197E-02
DAV: 16 -0.913428701760E+02 -0.10562E-02 -0.14885E-04 658 0.685E-02 0.111E-02
DAV: 17 -0.913432740521E+02 -0.40388E-03 -0.32940E-05 600 0.309E-02 0.116E-02
DAV: 18 -0.913434668556E+02 -0.19280E-03 -0.34502E-05 629 0.327E-02 0.551E-03
DAV: 19 -0.913435395085E+02 -0.72653E-04 -0.76209E-06 464 0.156E-02 0.242E-03
DAV: 20 -0.913435627317E+02 -0.23223E-04 -0.40545E-06 480 0.866E-03 0.192E-03
DAV: 21 -0.913435728540E+02 -0.10122E-04 -0.13152E-06 431 0.493E-03 0.102E-03
DAV: 22 -0.913435751543E+02 -0.23003E-05 -0.63550E-07 464 0.365E-03
1 F= -.91343575E+02 E0= -.91348408E+02 d E =0.144981E-01