./iterations/neb0_image05_iter261_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 0.368109219224E+03 0.36811E+03 -0.14309E+04 624 0.799E+02
DAV: 2 0.367717707985E+01 -0.36443E+03 -0.35044E+03 853 0.196E+02
DAV: 3 -0.956769340278E+02 -0.99354E+02 -0.99017E+02 672 0.116E+02
DAV: 4 -0.100212584200E+03 -0.45357E+01 -0.45250E+01 704 0.287E+01
DAV: 5 -0.100299759382E+03 -0.87175E-01 -0.87135E-01 736 0.358E+00 0.223E+01
DAV: 6 -0.916409459684E+02 0.86588E+01 -0.31243E+01 696 0.300E+01 0.117E+01
DAV: 7 -0.908083866952E+02 0.83256E+00 -0.17600E+00 720 0.624E+00 0.483E+00
DAV: 8 -0.904293061564E+02 0.37908E+00 -0.55279E-01 736 0.428E+00 0.166E+00
DAV: 9 -0.903440980296E+02 0.85208E-01 -0.12849E-01 720 0.168E+00 0.431E-01
DAV: 10 -0.903372061604E+02 0.68919E-02 -0.46070E-02 720 0.122E+00 0.321E-01
DAV: 11 -0.903409275777E+02 -0.37214E-02 -0.84872E-03 608 0.597E-01 0.121E-01
DAV: 12 -0.903434389602E+02 -0.25114E-02 -0.63607E-03 632 0.410E-01 0.134E-01
DAV: 13 -0.903461084175E+02 -0.26695E-02 -0.21963E-03 869 0.346E-01 0.814E-02
DAV: 14 -0.903500785317E+02 -0.39701E-02 -0.16270E-03 627 0.179E-01 0.700E-02
DAV: 15 -0.903520888557E+02 -0.20103E-02 -0.31434E-04 848 0.114E-01 0.420E-02
DAV: 16 -0.903542597980E+02 -0.21709E-02 -0.12217E-03 650 0.208E-01 0.528E-02
DAV: 17 -0.903547046317E+02 -0.44483E-03 -0.16255E-04 744 0.849E-02 0.377E-02
DAV: 18 -0.903548956531E+02 -0.19102E-03 -0.59430E-05 632 0.436E-02 0.230E-02
DAV: 19 -0.903552395440E+02 -0.34389E-03 -0.17291E-04 649 0.791E-02 0.129E-02
DAV: 20 -0.903552797738E+02 -0.40230E-04 -0.20237E-05 584 0.319E-02 0.103E-02
DAV: 21 -0.903553222349E+02 -0.42461E-04 -0.12058E-05 400 0.200E-02 0.660E-03
DAV: 22 -0.903553425962E+02 -0.20361E-04 -0.51742E-06 472 0.127E-02 0.379E-03
DAV: 23 -0.903553465581E+02 -0.39618E-05 -0.53049E-06 466 0.129E-02
1 F= -.90355347E+02 E0= -.90360086E+02 d E =0.142170E-01