./iterations/neb0_image04_iter67_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 0.370506907279E+03 0.37051E+03 -0.14312E+04 632 0.799E+02
DAV: 2 0.412436574947E+01 -0.36638E+03 -0.35375E+03 861 0.195E+02
DAV: 3 -0.952711410078E+02 -0.99396E+02 -0.99075E+02 674 0.116E+02
DAV: 4 -0.997122983891E+02 -0.44412E+01 -0.44298E+01 712 0.281E+01
DAV: 5 -0.997984951734E+02 -0.86197E-01 -0.86155E-01 720 0.354E+00 0.221E+01
DAV: 6 -0.913316580144E+02 0.84668E+01 -0.29975E+01 674 0.295E+01 0.115E+01
DAV: 7 -0.904843037873E+02 0.84735E+00 -0.17322E+00 712 0.629E+00 0.480E+00
DAV: 8 -0.900840203058E+02 0.40028E+00 -0.56398E-01 712 0.430E+00 0.164E+00
DAV: 9 -0.899900502766E+02 0.93970E-01 -0.13385E-01 720 0.176E+00 0.440E-01
DAV: 10 -0.899800753269E+02 0.99749E-02 -0.56585E-02 712 0.136E+00 0.348E-01
DAV: 11 -0.899840415416E+02 -0.39662E-02 -0.13763E-02 626 0.663E-01 0.142E-01
DAV: 12 -0.899859409847E+02 -0.18994E-02 -0.40209E-03 658 0.286E-01 0.130E-01
DAV: 13 -0.899898786518E+02 -0.39377E-02 -0.24226E-03 837 0.381E-01 0.709E-02
DAV: 14 -0.899931618343E+02 -0.32832E-02 -0.10931E-03 658 0.160E-01 0.589E-02
DAV: 15 -0.899955293800E+02 -0.23675E-02 -0.37832E-04 789 0.119E-01 0.310E-02
DAV: 16 -0.899970682000E+02 -0.15388E-02 -0.38576E-04 685 0.102E-01 0.283E-02
DAV: 17 -0.899979849390E+02 -0.91674E-03 -0.10998E-04 663 0.599E-02 0.174E-02
DAV: 18 -0.899983114748E+02 -0.32654E-03 -0.79984E-05 661 0.443E-02 0.854E-03
DAV: 19 -0.899984257514E+02 -0.11428E-03 -0.10025E-05 464 0.212E-02 0.432E-03
DAV: 20 -0.899984890098E+02 -0.63258E-04 -0.14886E-05 449 0.187E-02 0.374E-03
DAV: 21 -0.899985007529E+02 -0.11743E-04 -0.19646E-06 512 0.852E-03 0.197E-03
DAV: 22 -0.899985065240E+02 -0.57711E-05 -0.30409E-06 410 0.110E-02
1 F= -.89998507E+02 E0= -.90003187E+02 d E =0.140405E-01