iterations/neb0_image09_iter49_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 0.374394762994E+03 0.37439E+03 -0.14279E+04 624 0.799E+02
DAV: 2 0.249796759170E+01 -0.37190E+03 -0.35951E+03 877 0.196E+02
DAV: 3 -0.967290630827E+02 -0.99227E+02 -0.98893E+02 664 0.117E+02
DAV: 4 -0.101211437882E+03 -0.44824E+01 -0.44732E+01 688 0.285E+01
DAV: 5 -0.101300809894E+03 -0.89372E-01 -0.89332E-01 736 0.363E+00 0.226E+01
DAV: 6 -0.926623131301E+02 0.86385E+01 -0.30849E+01 709 0.301E+01 0.119E+01
DAV: 7 -0.917974972839E+02 0.86482E+00 -0.17117E+00 728 0.616E+00 0.479E+00
DAV: 8 -0.914205739179E+02 0.37692E+00 -0.54710E-01 712 0.398E+00 0.163E+00
DAV: 9 -0.913381724131E+02 0.82402E-01 -0.13034E-01 704 0.155E+00 0.424E-01
DAV: 10 -0.913291658850E+02 0.90065E-02 -0.46158E-02 760 0.112E+00 0.305E-01
DAV: 11 -0.913338418802E+02 -0.46760E-02 -0.14216E-02 616 0.617E-01 0.157E-01
DAV: 12 -0.913366252882E+02 -0.27834E-02 -0.29865E-03 631 0.240E-01 0.115E-01
DAV: 13 -0.913405613440E+02 -0.39361E-02 -0.19692E-03 685 0.238E-01 0.458E-02
DAV: 14 -0.913438666473E+02 -0.33053E-02 -0.55709E-04 661 0.135E-01 0.284E-02
DAV: 15 -0.913453879501E+02 -0.15213E-02 -0.13777E-04 672 0.629E-02 0.301E-02
DAV: 16 -0.913466471349E+02 -0.12592E-02 -0.30262E-04 658 0.910E-02 0.186E-02
DAV: 17 -0.913469370559E+02 -0.28992E-03 -0.36328E-05 656 0.416E-02 0.134E-02
DAV: 18 -0.913471321444E+02 -0.19509E-03 -0.46490E-05 637 0.369E-02 0.105E-02
DAV: 19 -0.913472504961E+02 -0.11835E-03 -0.11476E-05 458 0.218E-02 0.503E-03
DAV: 20 -0.913472811351E+02 -0.30639E-04 -0.11503E-05 488 0.186E-02 0.246E-03
DAV: 21 -0.913473064363E+02 -0.25301E-04 -0.32340E-06 411 0.942E-03 0.165E-03
DAV: 22 -0.913473123169E+02 -0.58806E-05 -0.13809E-06 464 0.607E-03
1 F= -.91347312E+02 E0= -.91351901E+02 d E =0.137674E-01