./iterations/neb0_image07_iter29_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 0.374561156880E+03 0.37456E+03 -0.14318E+04 632 0.799E+02
DAV: 2 0.358426617342E+01 -0.37098E+03 -0.35800E+03 861 0.196E+02
DAV: 3 -0.963167671276E+02 -0.99901E+02 -0.99560E+02 672 0.117E+02
DAV: 4 -0.100617801586E+03 -0.43010E+01 -0.42895E+01 728 0.279E+01
DAV: 5 -0.100699746388E+03 -0.81945E-01 -0.81921E-01 728 0.349E+00 0.228E+01
DAV: 6 -0.919285751671E+02 0.87712E+01 -0.30642E+01 679 0.304E+01 0.119E+01
DAV: 7 -0.910319760554E+02 0.89660E+00 -0.17264E+00 720 0.628E+00 0.481E+00
DAV: 8 -0.906497798028E+02 0.38220E+00 -0.56576E-01 704 0.410E+00 0.166E+00
DAV: 9 -0.905620589142E+02 0.87721E-01 -0.13263E-01 704 0.155E+00 0.437E-01
DAV: 10 -0.905514197196E+02 0.10639E-01 -0.42127E-02 736 0.104E+00 0.297E-01
DAV: 11 -0.905562240601E+02 -0.48043E-02 -0.12096E-02 599 0.589E-01 0.164E-01
DAV: 12 -0.905584679517E+02 -0.22439E-02 -0.20258E-03 661 0.212E-01 0.115E-01
DAV: 13 -0.905634034556E+02 -0.49355E-02 -0.32115E-03 625 0.295E-01 0.665E-02
DAV: 14 -0.905651561748E+02 -0.17527E-02 -0.38729E-04 712 0.137E-01 0.329E-02
DAV: 15 -0.905685155061E+02 -0.33593E-02 -0.76736E-04 641 0.140E-01 0.334E-02
DAV: 16 -0.905688591954E+02 -0.34369E-03 -0.56804E-05 712 0.616E-02 0.208E-02
DAV: 17 -0.905697390295E+02 -0.87983E-03 -0.22411E-04 667 0.943E-02 0.159E-02
DAV: 18 -0.905700912200E+02 -0.35219E-03 -0.38480E-05 693 0.350E-02 0.131E-02
DAV: 19 -0.905702301103E+02 -0.13889E-03 -0.21395E-05 530 0.236E-02 0.547E-03
DAV: 20 -0.905702884485E+02 -0.58338E-04 -0.14870E-05 460 0.253E-02 0.380E-03
DAV: 21 -0.905703170490E+02 -0.28601E-04 -0.54283E-06 437 0.116E-02 0.407E-03
DAV: 22 -0.905703244725E+02 -0.74235E-05 -0.12589E-06 482 0.640E-03
1 F= -.90570324E+02 E0= -.90575910E+02 d E =0.167571E-01