./iterations/neb0_image04_iter52_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 0.371110955100E+03 0.37111E+03 -0.14316E+04 632 0.799E+02
DAV: 2 0.460763340119E+01 -0.36650E+03 -0.35385E+03 861 0.195E+02
DAV: 3 -0.951298410240E+02 -0.99737E+02 -0.99401E+02 677 0.116E+02
DAV: 4 -0.996316671550E+02 -0.45018E+01 -0.44905E+01 712 0.281E+01
DAV: 5 -0.997200243061E+02 -0.88357E-01 -0.88314E-01 744 0.354E+00 0.222E+01
DAV: 6 -0.912143818252E+02 0.85056E+01 -0.30153E+01 690 0.296E+01 0.116E+01
DAV: 7 -0.903736614075E+02 0.84072E+00 -0.17719E+00 712 0.631E+00 0.481E+00
DAV: 8 -0.899752736702E+02 0.39839E+00 -0.56569E-01 704 0.429E+00 0.167E+00
DAV: 9 -0.898800585544E+02 0.95215E-01 -0.13635E-01 720 0.175E+00 0.442E-01
DAV: 10 -0.898701162486E+02 0.99423E-02 -0.50152E-02 720 0.125E+00 0.337E-01
DAV: 11 -0.898739404904E+02 -0.38242E-02 -0.13010E-02 629 0.631E-01 0.144E-01
DAV: 12 -0.898755384083E+02 -0.15979E-02 -0.33337E-03 648 0.273E-01 0.121E-01
DAV: 13 -0.898803574048E+02 -0.48190E-02 -0.33389E-03 778 0.434E-01 0.761E-02
DAV: 14 -0.898830555010E+02 -0.26981E-02 -0.99006E-04 677 0.161E-01 0.612E-02
DAV: 15 -0.898850526543E+02 -0.19972E-02 -0.55255E-04 680 0.147E-01 0.246E-02
DAV: 16 -0.898869058695E+02 -0.18532E-02 -0.30749E-04 666 0.881E-02 0.299E-02
DAV: 17 -0.898876677388E+02 -0.76187E-03 -0.54477E-05 621 0.402E-02 0.226E-02
DAV: 18 -0.898881321552E+02 -0.46442E-03 -0.16874E-04 647 0.766E-02 0.126E-02
DAV: 19 -0.898881581967E+02 -0.26042E-04 -0.13197E-05 520 0.293E-02 0.814E-03
DAV: 20 -0.898882838351E+02 -0.12564E-03 -0.54436E-05 617 0.437E-02 0.103E-02
DAV: 21 -0.898883066546E+02 -0.22819E-04 -0.64718E-06 480 0.234E-02 0.572E-03
DAV: 22 -0.898883253455E+02 -0.18691E-04 -0.12361E-05 415 0.194E-02 0.344E-03
DAV: 23 -0.898883390083E+02 -0.13663E-04 -0.30572E-06 469 0.978E-03 0.383E-03
DAV: 24 -0.898883438803E+02 -0.48720E-05 -0.12790E-06 453 0.608E-03
1 F= -.89888344E+02 E0= -.89893906E+02 d E =0.166874E-01