./iterations/neb0_image09_iter154_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 0.374231887348E+03 0.37423E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.333583103759E+01 -0.37090E+03 -0.35806E+03 869 0.196E+02
DAV: 3 -0.967061083525E+02 -0.10004E+03 -0.99709E+02 661 0.117E+02
DAV: 4 -0.101254800959E+03 -0.45487E+01 -0.45381E+01 720 0.287E+01
DAV: 5 -0.101343830985E+03 -0.89030E-01 -0.88990E-01 728 0.365E+00 0.227E+01
DAV: 6 -0.926731274072E+02 0.86707E+01 -0.30967E+01 717 0.301E+01 0.119E+01
DAV: 7 -0.918056212890E+02 0.86751E+00 -0.17275E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.914290684917E+02 0.37655E+00 -0.54323E-01 712 0.395E+00 0.163E+00
DAV: 9 -0.913469409235E+02 0.82128E-01 -0.13183E-01 712 0.156E+00 0.424E-01
DAV: 10 -0.913384556465E+02 0.84853E-02 -0.43973E-02 768 0.110E+00 0.299E-01
DAV: 11 -0.913426456305E+02 -0.41900E-02 -0.11279E-02 616 0.555E-01 0.129E-01
DAV: 12 -0.913458847849E+02 -0.32392E-02 -0.28747E-03 634 0.258E-01 0.108E-01
DAV: 13 -0.913493540286E+02 -0.34692E-02 -0.10013E-03 664 0.177E-01 0.494E-02
DAV: 14 -0.913526036903E+02 -0.32497E-02 -0.87890E-04 664 0.158E-01 0.405E-02
DAV: 15 -0.913541470280E+02 -0.15433E-02 -0.18456E-04 736 0.948E-02 0.355E-02
DAV: 16 -0.913555848139E+02 -0.14378E-02 -0.31344E-04 647 0.853E-02 0.160E-02
DAV: 17 -0.913560621365E+02 -0.47732E-03 -0.65135E-05 680 0.509E-02 0.148E-02
DAV: 18 -0.913563470520E+02 -0.28492E-03 -0.55988E-05 637 0.365E-02 0.926E-03
DAV: 19 -0.913563936671E+02 -0.46615E-04 -0.54950E-06 504 0.158E-02 0.511E-03
DAV: 20 -0.913564307731E+02 -0.37106E-04 -0.10457E-05 412 0.195E-02 0.227E-03
DAV: 21 -0.913564482533E+02 -0.17480E-04 -0.29740E-06 464 0.834E-03 0.270E-03
DAV: 22 -0.913564527944E+02 -0.45412E-05 -0.80575E-07 458 0.543E-03
1 F= -.91356453E+02 E0= -.91361452E+02 d E =0.149988E-01