iterations/neb0_image08_iter109_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 0.376285865924E+03 0.37629E+03 -0.14286E+04 624 0.799E+02
DAV: 2 0.348939484201E+01 -0.37280E+03 -0.35979E+03 869 0.196E+02
DAV: 3 -0.968497453387E+02 -0.10034E+03 -0.10000E+03 688 0.117E+02
DAV: 4 -0.101212689506E+03 -0.43629E+01 -0.43527E+01 696 0.275E+01
DAV: 5 -0.101298796712E+03 -0.86107E-01 -0.86072E-01 736 0.346E+00 0.228E+01
DAV: 6 -0.926238322040E+02 0.86750E+01 -0.30807E+01 714 0.302E+01 0.120E+01
DAV: 7 -0.917447250976E+02 0.87911E+00 -0.17178E+00 720 0.616E+00 0.481E+00
DAV: 8 -0.913650221248E+02 0.37970E+00 -0.55352E-01 712 0.401E+00 0.163E+00
DAV: 9 -0.912819832241E+02 0.83039E-01 -0.13190E-01 712 0.156E+00 0.425E-01
DAV: 10 -0.912729964213E+02 0.89868E-02 -0.47055E-02 744 0.114E+00 0.307E-01
DAV: 11 -0.912776853117E+02 -0.46889E-02 -0.14170E-02 624 0.620E-01 0.155E-01
DAV: 12 -0.912805257507E+02 -0.28404E-02 -0.30157E-03 609 0.249E-01 0.119E-01
DAV: 13 -0.912842022971E+02 -0.36765E-02 -0.16992E-03 725 0.227E-01 0.453E-02
DAV: 14 -0.912875135379E+02 -0.33112E-02 -0.59588E-04 656 0.141E-01 0.341E-02
DAV: 15 -0.912891624095E+02 -0.16489E-02 -0.19862E-04 656 0.820E-02 0.390E-02
DAV: 16 -0.912904286667E+02 -0.12663E-02 -0.35661E-04 642 0.992E-02 0.191E-02
DAV: 17 -0.912907549077E+02 -0.32624E-03 -0.57963E-05 688 0.551E-02 0.143E-02
DAV: 18 -0.912909930452E+02 -0.23814E-03 -0.45422E-05 634 0.332E-02 0.127E-02
DAV: 19 -0.912911064866E+02 -0.11344E-03 -0.12291E-05 472 0.195E-02 0.586E-03
DAV: 20 -0.912911441048E+02 -0.37618E-04 -0.12549E-05 448 0.210E-02 0.228E-03
DAV: 21 -0.912911664263E+02 -0.22321E-04 -0.41066E-06 430 0.951E-03 0.259E-03
DAV: 22 -0.912911708912E+02 -0.44649E-05 -0.79147E-07 480 0.447E-03
1 F= -.91291171E+02 E0= -.91296220E+02 d E =0.151467E-01