./iterations/neb0_image03_iter34_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 0.369016360129E+03 0.36902E+03 -0.14327E+04 632 0.799E+02
DAV: 2 0.337412411918E+01 -0.36564E+03 -0.35296E+03 853 0.195E+02
DAV: 3 -0.954455504598E+02 -0.98820E+02 -0.98494E+02 664 0.116E+02
DAV: 4 -0.999826992662E+02 -0.45371E+01 -0.45280E+01 720 0.287E+01
DAV: 5 -0.100069797466E+03 -0.87098E-01 -0.87052E-01 736 0.359E+00 0.224E+01
DAV: 6 -0.914288093307E+02 0.86410E+01 -0.30311E+01 696 0.296E+01 0.118E+01
DAV: 7 -0.905530060646E+02 0.87580E+00 -0.18111E+00 704 0.637E+00 0.481E+00
DAV: 8 -0.901501311122E+02 0.40287E+00 -0.56776E-01 696 0.429E+00 0.166E+00
DAV: 9 -0.900567638876E+02 0.93367E-01 -0.14146E-01 704 0.168E+00 0.447E-01
DAV: 10 -0.900485514738E+02 0.82124E-02 -0.43390E-02 720 0.122E+00 0.333E-01
DAV: 11 -0.900514939474E+02 -0.29425E-02 -0.66572E-03 605 0.522E-01 0.131E-01
DAV: 12 -0.900540896980E+02 -0.25958E-02 -0.58541E-03 637 0.369E-01 0.124E-01
DAV: 13 -0.900577000407E+02 -0.36103E-02 -0.14178E-03 840 0.328E-01 0.752E-02
DAV: 14 -0.900609317801E+02 -0.32317E-02 -0.81554E-04 653 0.140E-01 0.477E-02
DAV: 15 -0.900639791314E+02 -0.30474E-02 -0.48477E-04 650 0.114E-01 0.325E-02
DAV: 16 -0.900652059391E+02 -0.12268E-02 -0.18717E-04 696 0.702E-02 0.194E-02
DAV: 17 -0.900660752373E+02 -0.86930E-03 -0.83243E-05 664 0.473E-02 0.110E-02
DAV: 18 -0.900664813454E+02 -0.40611E-03 -0.45671E-05 605 0.300E-02 0.756E-03
DAV: 19 -0.900666252593E+02 -0.14391E-03 -0.94466E-06 461 0.251E-02 0.479E-03
DAV: 20 -0.900667097692E+02 -0.84510E-04 -0.18465E-05 498 0.211E-02 0.570E-03
DAV: 21 -0.900667281754E+02 -0.18406E-04 -0.28993E-06 496 0.177E-02 0.199E-03
DAV: 22 -0.900667439232E+02 -0.15748E-04 -0.48221E-06 426 0.119E-02 0.230E-03
DAV: 23 -0.900667570291E+02 -0.13106E-04 -0.13897E-06 445 0.495E-03 0.178E-03
DAV: 24 -0.900667594458E+02 -0.24167E-05 -0.12612E-06 496 0.917E-03
1 F= -.90066759E+02 E0= -.90079594E+02 d E =0.385034E-01