./iterations/neb0_image07_iter93_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 0.376407675274E+03 0.37641E+03 -0.14274E+04 624 0.799E+02
DAV: 2 0.338271307120E+01 -0.37302E+03 -0.36104E+03 877 0.196E+02
DAV: 3 -0.963285135350E+02 -0.99711E+02 -0.99380E+02 664 0.117E+02
DAV: 4 -0.100861452756E+03 -0.45329E+01 -0.45222E+01 696 0.287E+01
DAV: 5 -0.100952559954E+03 -0.91107E-01 -0.91069E-01 728 0.365E+00 0.226E+01
DAV: 6 -0.923651668534E+02 0.85874E+01 -0.30709E+01 709 0.303E+01 0.118E+01
DAV: 7 -0.915086072285E+02 0.85656E+00 -0.16621E+00 728 0.614E+00 0.481E+00
DAV: 8 -0.911281686777E+02 0.38044E+00 -0.56198E-01 704 0.404E+00 0.162E+00
DAV: 9 -0.910442787277E+02 0.83890E-01 -0.13170E-01 728 0.155E+00 0.425E-01
DAV: 10 -0.910348739799E+02 0.94047E-02 -0.46842E-02 717 0.110E+00 0.306E-01
DAV: 11 -0.910394408730E+02 -0.45669E-02 -0.11848E-02 616 0.568E-01 0.137E-01
DAV: 12 -0.910426676834E+02 -0.32268E-02 -0.36207E-03 619 0.278E-01 0.146E-01
DAV: 13 -0.910463702097E+02 -0.37025E-02 -0.26968E-03 776 0.321E-01 0.553E-02
DAV: 14 -0.910489114295E+02 -0.25412E-02 -0.58020E-04 645 0.112E-01 0.573E-02
DAV: 15 -0.910515235554E+02 -0.26121E-02 -0.32856E-04 653 0.870E-02 0.310E-02
DAV: 16 -0.910524985770E+02 -0.97502E-03 -0.30257E-04 672 0.859E-02 0.253E-02
DAV: 17 -0.910530850167E+02 -0.58644E-03 -0.10408E-04 642 0.619E-02 0.108E-02
DAV: 18 -0.910532168126E+02 -0.13180E-03 -0.19464E-05 504 0.245E-02 0.696E-03
DAV: 19 -0.910533157891E+02 -0.98977E-04 -0.25541E-05 482 0.284E-02 0.481E-03
DAV: 20 -0.910533316310E+02 -0.15842E-04 -0.47671E-06 512 0.124E-02 0.449E-03
DAV: 21 -0.910533418575E+02 -0.10227E-04 -0.25145E-06 412 0.101E-02 0.203E-03
DAV: 22 -0.910533537642E+02 -0.11907E-04 -0.22844E-06 409 0.802E-03 0.100E-03
DAV: 23 -0.910533553842E+02 -0.16199E-05 -0.44429E-07 509 0.320E-03
1 F= -.91053355E+02 E0= -.91058191E+02 d E =0.145070E-01