./iterations/neb0_image03_iter136_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 0.365968321122E+03 0.36597E+03 -0.14319E+04 632 0.799E+02
DAV: 2 0.228039894915E+01 -0.36369E+03 -0.35135E+03 853 0.195E+02
DAV: 3 -0.958119733826E+02 -0.98092E+02 -0.97772E+02 672 0.116E+02
DAV: 4 -0.100200977451E+03 -0.43890E+01 -0.43792E+01 712 0.280E+01
DAV: 5 -0.100287778642E+03 -0.86801E-01 -0.86769E-01 736 0.353E+00 0.222E+01
DAV: 6 -0.917026436260E+02 0.85851E+01 -0.30624E+01 680 0.296E+01 0.116E+01
DAV: 7 -0.908530837491E+02 0.84956E+00 -0.18188E+00 712 0.644E+00 0.483E+00
DAV: 8 -0.904498976397E+02 0.40319E+00 -0.57633E-01 704 0.444E+00 0.168E+00
DAV: 9 -0.903551585615E+02 0.94739E-01 -0.12628E-01 704 0.193E+00 0.474E-01
DAV: 10 -0.903460336056E+02 0.91250E-02 -0.38209E-02 712 0.967E-01 0.346E-01
DAV: 11 -0.903480918939E+02 -0.20583E-02 -0.81602E-03 760 0.663E-01 0.175E-01
DAV: 12 -0.903500223545E+02 -0.19305E-02 -0.36929E-03 621 0.392E-01 0.120E-01
DAV: 13 -0.903545944767E+02 -0.45721E-02 -0.35031E-03 621 0.309E-01 0.873E-02
DAV: 14 -0.903594470882E+02 -0.48526E-02 -0.11605E-03 644 0.175E-01 0.513E-02
DAV: 15 -0.903611257565E+02 -0.16787E-02 -0.33052E-04 792 0.110E-01 0.247E-02
DAV: 16 -0.903627527882E+02 -0.16270E-02 -0.13056E-04 661 0.612E-02 0.139E-02
DAV: 17 -0.903639217433E+02 -0.11690E-02 -0.10905E-04 658 0.389E-02 0.839E-03
DAV: 18 -0.903643281159E+02 -0.40637E-03 -0.45334E-05 608 0.261E-02 0.595E-03
DAV: 19 -0.903644394856E+02 -0.11137E-03 -0.83886E-06 480 0.146E-02 0.256E-03
DAV: 20 -0.903645076534E+02 -0.68168E-04 -0.94318E-06 442 0.127E-02 0.267E-03
DAV: 21 -0.903645288099E+02 -0.21156E-04 -0.31425E-06 464 0.836E-03 0.140E-03
DAV: 22 -0.903645346030E+02 -0.57931E-05 -0.17902E-06 496 0.775E-03
1 F= -.90364535E+02 E0= -.90373251E+02 d E =0.261501E-01