iterations/neb0_image06_iter245_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 0.370188441531E+03 0.37019E+03 -0.14352E+04 640 0.799E+02
DAV: 2 0.370647688940E+01 -0.36648E+03 -0.35440E+03 863 0.193E+02
DAV: 3 -0.951305431182E+02 -0.98837E+02 -0.98464E+02 648 0.116E+02
DAV: 4 -0.100005926692E+03 -0.48754E+01 -0.48599E+01 728 0.295E+01
DAV: 5 -0.100108447570E+03 -0.10252E+00 -0.10247E+00 704 0.380E+00 0.224E+01
DAV: 6 -0.915970781561E+02 0.85114E+01 -0.29951E+01 696 0.301E+01 0.118E+01
DAV: 7 -0.907696564017E+02 0.82742E+00 -0.17282E+00 720 0.631E+00 0.480E+00
DAV: 8 -0.903968694011E+02 0.37279E+00 -0.57193E-01 712 0.422E+00 0.165E+00
DAV: 9 -0.903102081601E+02 0.86661E-01 -0.12757E-01 720 0.161E+00 0.431E-01
DAV: 10 -0.903004532672E+02 0.97549E-02 -0.34420E-02 720 0.912E-01 0.285E-01
DAV: 11 -0.903045300581E+02 -0.40768E-02 -0.99511E-03 602 0.531E-01 0.156E-01
DAV: 12 -0.903066369401E+02 -0.21069E-02 -0.30496E-03 632 0.326E-01 0.853E-02
DAV: 13 -0.903106923117E+02 -0.40554E-02 -0.20112E-03 633 0.217E-01 0.766E-02
DAV: 14 -0.903132588895E+02 -0.25666E-02 -0.66669E-04 704 0.186E-01 0.280E-02
DAV: 15 -0.903158920413E+02 -0.26332E-02 -0.43027E-04 636 0.101E-01 0.364E-02
DAV: 16 -0.903173980803E+02 -0.15060E-02 -0.25902E-04 738 0.110E-01 0.187E-02
DAV: 17 -0.903181922974E+02 -0.79422E-03 -0.12257E-04 669 0.546E-02 0.159E-02
DAV: 18 -0.903184181467E+02 -0.22585E-03 -0.25835E-05 557 0.260E-02 0.983E-03
DAV: 19 -0.903185681521E+02 -0.15001E-03 -0.33398E-05 543 0.316E-02 0.421E-03
DAV: 20 -0.903185982597E+02 -0.30108E-04 -0.36746E-06 480 0.134E-02 0.266E-03
DAV: 21 -0.903186127517E+02 -0.14492E-04 -0.27602E-06 415 0.828E-03 0.110E-03
DAV: 22 -0.903186204289E+02 -0.76771E-05 -0.95279E-07 450 0.521E-03
1 F= -.90318620E+02 E0= -.90323165E+02 d E =0.136330E-01