iterations/neb0_image09_iter7_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 0.372478149087E+03 0.37248E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.218432923354E+01 -0.37029E+03 -0.35784E+03 877 0.196E+02
DAV: 3 -0.967355542579E+02 -0.98920E+02 -0.98599E+02 680 0.116E+02
DAV: 4 -0.101021221316E+03 -0.42857E+01 -0.42752E+01 704 0.275E+01
DAV: 5 -0.101105899399E+03 -0.84678E-01 -0.84627E-01 736 0.348E+00 0.226E+01
DAV: 6 -0.923848456936E+02 0.87211E+01 -0.30865E+01 704 0.298E+01 0.118E+01
DAV: 7 -0.914945363426E+02 0.89031E+00 -0.17643E+00 720 0.628E+00 0.478E+00
DAV: 8 -0.911135308540E+02 0.38101E+00 -0.56709E-01 712 0.407E+00 0.164E+00
DAV: 9 -0.910334136854E+02 0.80117E-01 -0.13023E-01 712 0.159E+00 0.436E-01
DAV: 10 -0.910246821001E+02 0.87316E-02 -0.33173E-02 736 0.935E-01 0.273E-01
DAV: 11 -0.910287002392E+02 -0.40181E-02 -0.10505E-02 613 0.569E-01 0.149E-01
DAV: 12 -0.910307433035E+02 -0.20431E-02 -0.15902E-03 672 0.245E-01 0.983E-02
DAV: 13 -0.910355253583E+02 -0.47821E-02 -0.34476E-03 627 0.348E-01 0.731E-02
DAV: 14 -0.910368168727E+02 -0.12915E-02 -0.49910E-04 768 0.179E-01 0.428E-02
DAV: 15 -0.910394651780E+02 -0.26483E-02 -0.86582E-04 650 0.175E-01 0.366E-02
DAV: 16 -0.910407286799E+02 -0.12635E-02 -0.15201E-04 736 0.880E-02 0.240E-02
DAV: 17 -0.910417555738E+02 -0.10269E-02 -0.19140E-04 693 0.773E-02 0.965E-03
DAV: 18 -0.910422053883E+02 -0.44981E-03 -0.42782E-05 664 0.294E-02 0.125E-02
DAV: 19 -0.910423412400E+02 -0.13585E-03 -0.10312E-05 488 0.214E-02 0.659E-03
DAV: 20 -0.910424304919E+02 -0.89252E-04 -0.28773E-05 476 0.289E-02 0.532E-03
DAV: 21 -0.910424405477E+02 -0.10056E-04 -0.29379E-06 528 0.147E-02 0.273E-03
DAV: 22 -0.910424556220E+02 -0.15074E-04 -0.68258E-06 386 0.151E-02 0.308E-03
DAV: 23 -0.910424561274E+02 -0.50540E-06 -0.89120E-07 536 0.891E-03
1 F= -.91042456E+02 E0= -.91046403E+02 d E =0.118412E-01