./iterations/neb0_image09_iter191_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 0.374259221646E+03 0.37426E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.327001702597E+01 -0.37099E+03 -0.35826E+03 869 0.196E+02
DAV: 3 -0.966380949955E+02 -0.99908E+02 -0.99577E+02 653 0.117E+02
DAV: 4 -0.101253964018E+03 -0.46159E+01 -0.46052E+01 720 0.291E+01
DAV: 5 -0.101345010188E+03 -0.91046E-01 -0.91006E-01 728 0.370E+00 0.227E+01
DAV: 6 -0.926753200107E+02 0.86697E+01 -0.30960E+01 725 0.301E+01 0.119E+01
DAV: 7 -0.918081967090E+02 0.86712E+00 -0.17172E+00 720 0.613E+00 0.479E+00
DAV: 8 -0.914333341613E+02 0.37486E+00 -0.54181E-01 712 0.394E+00 0.163E+00
DAV: 9 -0.913516394365E+02 0.81695E-01 -0.13191E-01 712 0.156E+00 0.423E-01
DAV: 10 -0.913433744854E+02 0.82650E-02 -0.43927E-02 776 0.109E+00 0.299E-01
DAV: 11 -0.913477025274E+02 -0.43280E-02 -0.11640E-02 616 0.562E-01 0.131E-01
DAV: 12 -0.913509373276E+02 -0.32348E-02 -0.28329E-03 615 0.247E-01 0.106E-01
DAV: 13 -0.913544695364E+02 -0.35322E-02 -0.11558E-03 669 0.184E-01 0.456E-02
DAV: 14 -0.913579159687E+02 -0.34464E-02 -0.81202E-04 664 0.161E-01 0.383E-02
DAV: 15 -0.913590193169E+02 -0.11033E-02 -0.14073E-04 768 0.843E-02 0.337E-02
DAV: 16 -0.913605101385E+02 -0.14908E-02 -0.34137E-04 634 0.945E-02 0.168E-02
DAV: 17 -0.913609528309E+02 -0.44269E-03 -0.75590E-05 744 0.607E-02 0.122E-02
DAV: 18 -0.913611851610E+02 -0.23233E-03 -0.31987E-05 565 0.246E-02 0.809E-03
DAV: 19 -0.913612590896E+02 -0.73929E-04 -0.10071E-05 496 0.157E-02 0.307E-03
DAV: 20 -0.913612900504E+02 -0.30961E-04 -0.50620E-06 432 0.134E-02 0.150E-03
DAV: 21 -0.913613059196E+02 -0.15869E-04 -0.24746E-06 442 0.664E-03 0.187E-03
DAV: 22 -0.913613088416E+02 -0.29220E-05 -0.52610E-07 496 0.407E-03
1 F= -.91361309E+02 E0= -.91366086E+02 d E =0.143303E-01