./iterations/neb0_image07_iter197_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 0.370994283825E+03 0.37099E+03 -0.14321E+04 632 0.799E+02
DAV: 2 0.346885479001E+01 -0.36753E+03 -0.35517E+03 869 0.194E+02
DAV: 3 -0.964178837769E+02 -0.99887E+02 -0.99578E+02 680 0.116E+02
DAV: 4 -0.101058877483E+03 -0.46410E+01 -0.46284E+01 720 0.284E+01
DAV: 5 -0.101153168062E+03 -0.94291E-01 -0.94237E-01 728 0.361E+00 0.226E+01
DAV: 6 -0.925636509263E+02 0.85895E+01 -0.30661E+01 725 0.299E+01 0.118E+01
DAV: 7 -0.917222934390E+02 0.84136E+00 -0.17309E+00 712 0.619E+00 0.479E+00
DAV: 8 -0.913521301032E+02 0.37016E+00 -0.53471E-01 720 0.397E+00 0.162E+00
DAV: 9 -0.912710072448E+02 0.81123E-01 -0.12960E-01 728 0.157E+00 0.419E-01
DAV: 10 -0.912624049421E+02 0.86023E-02 -0.41368E-02 725 0.106E+00 0.292E-01
DAV: 11 -0.912667560266E+02 -0.43511E-02 -0.11915E-02 616 0.568E-01 0.144E-01
DAV: 12 -0.912694658068E+02 -0.27098E-02 -0.24139E-03 637 0.262E-01 0.903E-02
DAV: 13 -0.912734322268E+02 -0.39664E-02 -0.16890E-03 642 0.206E-01 0.546E-02
DAV: 14 -0.912760359427E+02 -0.26037E-02 -0.67042E-04 813 0.207E-01 0.402E-02
DAV: 15 -0.912779767749E+02 -0.19408E-02 -0.41845E-04 653 0.108E-01 0.333E-02
DAV: 16 -0.912790338104E+02 -0.10570E-02 -0.13379E-04 720 0.649E-02 0.156E-02
DAV: 17 -0.912799044053E+02 -0.87059E-03 -0.15332E-04 736 0.651E-02 0.155E-02
DAV: 18 -0.912801495387E+02 -0.24513E-03 -0.36370E-05 624 0.412E-02 0.650E-03
DAV: 19 -0.912802174183E+02 -0.67880E-04 -0.19214E-05 544 0.235E-02 0.573E-03
DAV: 20 -0.912802610536E+02 -0.43635E-04 -0.39921E-06 447 0.147E-02 0.286E-03
DAV: 21 -0.912802927602E+02 -0.31707E-04 -0.74660E-06 455 0.159E-02 0.274E-03
DAV: 22 -0.912803008461E+02 -0.80859E-05 -0.16549E-06 472 0.113E-02
1 F= -.91280301E+02 E0= -.91285146E+02 d E =0.145364E-01