iterations/neb0_image06_iter271_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 0.372646850216E+03 0.37265E+03 -0.14309E+04 632 0.799E+02
DAV: 2 0.519814358128E+01 -0.36745E+03 -0.35562E+03 845 0.194E+02
DAV: 3 -0.949528427443E+02 -0.10015E+03 -0.99752E+02 704 0.116E+02
DAV: 4 -0.993699582337E+02 -0.44171E+01 -0.44024E+01 701 0.272E+01
DAV: 5 -0.994615512321E+02 -0.91593E-01 -0.91543E-01 728 0.347E+00 0.222E+01
DAV: 6 -0.910692379549E+02 0.83923E+01 -0.29757E+01 696 0.303E+01 0.116E+01
DAV: 7 -0.902712663873E+02 0.79797E+00 -0.16979E+00 712 0.635E+00 0.479E+00
DAV: 8 -0.898971323284E+02 0.37413E+00 -0.56621E-01 712 0.418E+00 0.166E+00
DAV: 9 -0.898081188159E+02 0.89014E-01 -0.12725E-01 704 0.166E+00 0.437E-01
DAV: 10 -0.897983995074E+02 0.97193E-02 -0.34910E-02 765 0.911E-01 0.295E-01
DAV: 11 -0.898022812101E+02 -0.38817E-02 -0.13837E-02 608 0.678E-01 0.197E-01
DAV: 12 -0.898029700568E+02 -0.68885E-03 -0.42888E-03 688 0.423E-01 0.101E-01
DAV: 13 -0.898076737271E+02 -0.47037E-02 -0.39191E-03 590 0.356E-01 0.101E-01
DAV: 14 -0.898092628928E+02 -0.15892E-02 -0.52657E-04 752 0.179E-01 0.539E-02
DAV: 15 -0.898126499282E+02 -0.33870E-02 -0.15353E-03 635 0.234E-01 0.542E-02
DAV: 16 -0.898143419805E+02 -0.16921E-02 -0.47666E-04 888 0.165E-01 0.229E-02
DAV: 17 -0.898152552834E+02 -0.91330E-03 -0.16373E-04 680 0.604E-02 0.139E-02
DAV: 18 -0.898158487134E+02 -0.59343E-03 -0.76483E-05 641 0.364E-02 0.134E-02
DAV: 19 -0.898159689165E+02 -0.12020E-03 -0.13154E-05 544 0.299E-02 0.593E-03
DAV: 20 -0.898160745757E+02 -0.10566E-03 -0.35101E-05 536 0.302E-02 0.682E-03
DAV: 21 -0.898160915718E+02 -0.16996E-04 -0.29385E-06 480 0.144E-02 0.379E-03
DAV: 22 -0.898161059785E+02 -0.14407E-04 -0.55659E-06 389 0.133E-02 0.135E-03
DAV: 23 -0.898161120986E+02 -0.61201E-05 -0.12457E-06 477 0.516E-03
1 F= -.89816112E+02 E0= -.89820744E+02 d E =0.138946E-01