iterations/neb0_image01_iter68_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 0.366689918232E+03 0.36669E+03 -0.14299E+04 624 0.799E+02
DAV: 2 0.344203060162E+01 -0.36325E+03 -0.34983E+03 839 0.195E+02
DAV: 3 -0.957426412370E+02 -0.99185E+02 -0.98843E+02 680 0.116E+02
DAV: 4 -0.100204236593E+03 -0.44616E+01 -0.44523E+01 693 0.283E+01
DAV: 5 -0.100292040873E+03 -0.87804E-01 -0.87754E-01 744 0.355E+00 0.222E+01
DAV: 6 -0.916690297210E+02 0.86230E+01 -0.31234E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908599761251E+02 0.80905E+00 -0.18210E+00 720 0.634E+00 0.484E+00
DAV: 8 -0.904789896007E+02 0.38099E+00 -0.55250E-01 704 0.424E+00 0.168E+00
DAV: 9 -0.903932403294E+02 0.85749E-01 -0.13764E-01 696 0.164E+00 0.429E-01
DAV: 10 -0.903876168421E+02 0.56235E-02 -0.46872E-02 736 0.127E+00 0.319E-01
DAV: 11 -0.903913460661E+02 -0.37292E-02 -0.68363E-03 616 0.483E-01 0.147E-01
DAV: 12 -0.903948990558E+02 -0.35530E-02 -0.72263E-03 616 0.486E-01 0.129E-01
DAV: 13 -0.903977065990E+02 -0.28075E-02 -0.13965E-03 848 0.309E-01 0.779E-02
DAV: 14 -0.904005756723E+02 -0.28691E-02 -0.14175E-03 623 0.182E-01 0.598E-02
DAV: 15 -0.904027649665E+02 -0.21893E-02 -0.42855E-04 672 0.123E-01 0.465E-02
DAV: 16 -0.904040618580E+02 -0.12969E-02 -0.72807E-04 661 0.157E-01 0.347E-02
DAV: 17 -0.904049059320E+02 -0.84407E-03 -0.17522E-04 837 0.919E-02 0.212E-02
DAV: 18 -0.904050611124E+02 -0.15518E-03 -0.36468E-05 712 0.313E-02 0.142E-02
DAV: 19 -0.904053239972E+02 -0.26288E-03 -0.57168E-05 633 0.382E-02 0.466E-03
DAV: 20 -0.904053560965E+02 -0.32099E-04 -0.52975E-06 480 0.138E-02 0.526E-03
DAV: 21 -0.904053952855E+02 -0.39189E-04 -0.56445E-06 425 0.145E-02 0.434E-03
DAV: 22 -0.904054174579E+02 -0.22172E-04 -0.43733E-06 477 0.112E-02 0.300E-03
DAV: 23 -0.904054201767E+02 -0.27187E-05 -0.31408E-06 520 0.100E-02
1 F= -.90405420E+02 E0= -.90410603E+02 d E =0.155473E-01