iterations/neb0_image08_iter172_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 0.373744092892E+03 0.37374E+03 -0.14278E+04 624 0.799E+02
DAV: 2 0.266934771889E+01 -0.37107E+03 -0.35969E+03 871 0.196E+02
DAV: 3 -0.967244240238E+02 -0.99394E+02 -0.99092E+02 669 0.116E+02
DAV: 4 -0.101211120158E+03 -0.44867E+01 -0.44750E+01 712 0.284E+01
DAV: 5 -0.101300433731E+03 -0.89314E-01 -0.89262E-01 712 0.361E+00 0.227E+01
DAV: 6 -0.926437614858E+02 0.86567E+01 -0.30958E+01 725 0.300E+01 0.119E+01
DAV: 7 -0.917842003537E+02 0.85956E+00 -0.17209E+00 720 0.614E+00 0.479E+00
DAV: 8 -0.914107247681E+02 0.37348E+00 -0.54591E-01 720 0.397E+00 0.161E+00
DAV: 9 -0.913309501129E+02 0.79775E-01 -0.12949E-01 720 0.154E+00 0.420E-01
DAV: 10 -0.913228396728E+02 0.81104E-02 -0.43177E-02 760 0.108E+00 0.297E-01
DAV: 11 -0.913275596258E+02 -0.47200E-02 -0.12444E-02 608 0.580E-01 0.142E-01
DAV: 12 -0.913304621689E+02 -0.29025E-02 -0.26645E-03 633 0.252E-01 0.949E-02
DAV: 13 -0.913338251808E+02 -0.33630E-02 -0.13140E-03 634 0.178E-01 0.472E-02
DAV: 14 -0.913375398728E+02 -0.37147E-02 -0.10977E-03 786 0.230E-01 0.486E-02
DAV: 15 -0.913382694909E+02 -0.72962E-03 -0.27820E-04 704 0.110E-01 0.361E-02
DAV: 16 -0.913392220431E+02 -0.95255E-03 -0.24013E-04 749 0.875E-02 0.136E-02
DAV: 17 -0.913401028913E+02 -0.88085E-03 -0.10811E-04 664 0.483E-02 0.151E-02
DAV: 18 -0.913403485438E+02 -0.24565E-03 -0.22871E-05 584 0.231E-02 0.108E-02
DAV: 19 -0.913404859011E+02 -0.13736E-03 -0.44602E-05 632 0.381E-02 0.691E-03
DAV: 20 -0.913405025411E+02 -0.16640E-04 -0.37330E-06 520 0.149E-02 0.484E-03
DAV: 21 -0.913405176603E+02 -0.15119E-04 -0.55506E-06 410 0.133E-02 0.134E-03
DAV: 22 -0.913405266396E+02 -0.89793E-05 -0.16157E-06 448 0.620E-03
1 F= -.91340527E+02 E0= -.91345714E+02 d E =0.155606E-01