iterations/neb0_image01_iter32_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 0.366106435875E+03 0.36611E+03 -0.14295E+04 624 0.799E+02
DAV: 2 0.303804638778E+01 -0.36307E+03 -0.34973E+03 847 0.195E+02
DAV: 3 -0.956540101788E+02 -0.98692E+02 -0.98346E+02 680 0.116E+02
DAV: 4 -0.100150347589E+03 -0.44963E+01 -0.44864E+01 685 0.281E+01
DAV: 5 -0.100240400410E+03 -0.90053E-01 -0.89998E-01 736 0.354E+00 0.222E+01
DAV: 6 -0.916411502365E+02 0.85993E+01 -0.31017E+01 709 0.298E+01 0.117E+01
DAV: 7 -0.908260895155E+02 0.81506E+00 -0.18236E+00 712 0.637E+00 0.483E+00
DAV: 8 -0.904447292279E+02 0.38136E+00 -0.56753E-01 704 0.433E+00 0.167E+00
DAV: 9 -0.903595955553E+02 0.85134E-01 -0.13737E-01 712 0.165E+00 0.432E-01
DAV: 10 -0.903537701996E+02 0.58254E-02 -0.43347E-02 720 0.124E+00 0.312E-01
DAV: 11 -0.903575037522E+02 -0.37336E-02 -0.63698E-03 605 0.455E-01 0.153E-01
DAV: 12 -0.903609180720E+02 -0.34143E-02 -0.67552E-03 618 0.494E-01 0.123E-01
DAV: 13 -0.903637596909E+02 -0.28416E-02 -0.11444E-03 776 0.285E-01 0.769E-02
DAV: 14 -0.903666990713E+02 -0.29394E-02 -0.16423E-03 637 0.194E-01 0.573E-02
DAV: 15 -0.903689051773E+02 -0.22061E-02 -0.39210E-04 752 0.136E-01 0.379E-02
DAV: 16 -0.903700981606E+02 -0.11930E-02 -0.49225E-04 672 0.123E-01 0.326E-02
DAV: 17 -0.903710021217E+02 -0.90396E-03 -0.15603E-04 735 0.838E-02 0.191E-02
DAV: 18 -0.903712151827E+02 -0.21306E-03 -0.50387E-05 688 0.357E-02 0.120E-02
DAV: 19 -0.903714428750E+02 -0.22769E-03 -0.49140E-05 622 0.350E-02 0.636E-03
DAV: 20 -0.903714820861E+02 -0.39211E-04 -0.31850E-06 488 0.126E-02 0.490E-03
DAV: 21 -0.903715238092E+02 -0.41723E-04 -0.89816E-06 402 0.162E-02 0.149E-03
DAV: 22 -0.903715351509E+02 -0.11342E-04 -0.19169E-06 480 0.709E-03 0.125E-03
DAV: 23 -0.903715392981E+02 -0.41472E-05 -0.70910E-07 423 0.344E-03
1 F= -.90371539E+02 E0= -.90377293E+02 d E =0.172613E-01