iterations/neb0_image06_iter287_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 0.375684161975E+03 0.37568E+03 -0.14332E+04 632 0.799E+02
DAV: 2 0.576297033553E+01 -0.36992E+03 -0.35741E+03 861 0.195E+02
DAV: 3 -0.942460996339E+02 -0.10001E+03 -0.99600E+02 645 0.116E+02
DAV: 4 -0.990755176695E+02 -0.48294E+01 -0.48107E+01 720 0.298E+01
DAV: 5 -0.991737500700E+02 -0.98232E-01 -0.98177E-01 720 0.383E+00 0.223E+01
DAV: 6 -0.907652894140E+02 0.84085E+01 -0.29626E+01 693 0.302E+01 0.116E+01
DAV: 7 -0.899235989815E+02 0.84169E+00 -0.16660E+00 712 0.635E+00 0.482E+00
DAV: 8 -0.895314576265E+02 0.39214E+00 -0.59045E-01 712 0.424E+00 0.158E+00
DAV: 9 -0.894441124143E+02 0.87345E-01 -0.12424E-01 704 0.160E+00 0.437E-01
DAV: 10 -0.894336772580E+02 0.10435E-01 -0.41179E-02 712 0.101E+00 0.305E-01
DAV: 11 -0.894375926987E+02 -0.39154E-02 -0.11152E-02 608 0.593E-01 0.164E-01
DAV: 12 -0.894391551311E+02 -0.15624E-02 -0.28982E-03 669 0.324E-01 0.919E-02
DAV: 13 -0.894437246780E+02 -0.45695E-02 -0.24625E-03 617 0.246E-01 0.775E-02
DAV: 14 -0.894460587328E+02 -0.23341E-02 -0.63038E-04 888 0.210E-01 0.366E-02
DAV: 15 -0.894490453771E+02 -0.29866E-02 -0.57526E-04 628 0.120E-01 0.335E-02
DAV: 16 -0.894508656285E+02 -0.18203E-02 -0.19730E-04 685 0.806E-02 0.148E-02
DAV: 17 -0.894519432995E+02 -0.10777E-02 -0.22074E-04 669 0.736E-02 0.206E-02
DAV: 18 -0.894522159805E+02 -0.27268E-03 -0.48317E-05 648 0.531E-02 0.586E-03
DAV: 19 -0.894522898059E+02 -0.73825E-04 -0.18517E-05 472 0.235E-02 0.335E-03
DAV: 20 -0.894523636197E+02 -0.73814E-04 -0.78184E-06 434 0.130E-02 0.292E-03
DAV: 21 -0.894523916067E+02 -0.27987E-04 -0.32644E-06 464 0.107E-02 0.152E-03
DAV: 22 -0.894524027748E+02 -0.11168E-04 -0.21566E-06 431 0.758E-03 0.105E-03
DAV: 23 -0.894524060034E+02 -0.32286E-05 -0.81329E-07 456 0.521E-03
1 F= -.89452406E+02 E0= -.89458324E+02 d E =0.177553E-01