./iterations/neb0_image02_iter185_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 0.366730607132E+03 0.36673E+03 -0.14295E+04 624 0.799E+02
DAV: 2 0.177930836097E+01 -0.36495E+03 -0.35363E+03 861 0.195E+02
DAV: 3 -0.957658633783E+02 -0.97545E+02 -0.97210E+02 656 0.116E+02
DAV: 4 -0.100230160661E+03 -0.44643E+01 -0.44541E+01 720 0.286E+01
DAV: 5 -0.100317259037E+03 -0.87098E-01 -0.87071E-01 752 0.360E+00 0.222E+01
DAV: 6 -0.916733915789E+02 0.86439E+01 -0.31081E+01 688 0.300E+01 0.117E+01
DAV: 7 -0.908610150848E+02 0.81238E+00 -0.18386E+00 704 0.637E+00 0.485E+00
DAV: 8 -0.904799438759E+02 0.38107E+00 -0.55313E-01 704 0.431E+00 0.170E+00
DAV: 9 -0.903927081253E+02 0.87236E-01 -0.13754E-01 712 0.168E+00 0.430E-01
DAV: 10 -0.903871993992E+02 0.55087E-02 -0.50348E-02 712 0.129E+00 0.331E-01
DAV: 11 -0.903907067840E+02 -0.35074E-02 -0.77551E-03 616 0.573E-01 0.129E-01
DAV: 12 -0.903938935459E+02 -0.31868E-02 -0.75714E-03 648 0.456E-01 0.139E-01
DAV: 13 -0.903963373110E+02 -0.24438E-02 -0.20415E-03 880 0.356E-01 0.819E-02
DAV: 14 -0.903995403022E+02 -0.32030E-02 -0.14562E-03 631 0.181E-01 0.707E-02
DAV: 15 -0.904014242378E+02 -0.18839E-02 -0.33429E-04 672 0.105E-01 0.552E-02
DAV: 16 -0.904029350740E+02 -0.15108E-02 -0.10837E-03 669 0.195E-01 0.394E-02
DAV: 17 -0.904036637307E+02 -0.72866E-03 -0.14472E-04 680 0.829E-02 0.297E-02
DAV: 18 -0.904039915645E+02 -0.32783E-03 -0.10674E-04 664 0.500E-02 0.108E-02
DAV: 19 -0.904041581989E+02 -0.16663E-03 -0.45214E-05 653 0.341E-02 0.765E-03
DAV: 20 -0.904041870553E+02 -0.28856E-04 -0.40585E-06 504 0.152E-02 0.642E-03
DAV: 21 -0.904042331699E+02 -0.46115E-04 -0.85577E-06 409 0.149E-02 0.427E-03
DAV: 22 -0.904042428825E+02 -0.97126E-05 -0.49021E-06 480 0.135E-02
1 F= -.90404243E+02 E0= -.90410654E+02 d E =0.192325E-01