iterations/neb0_image07_iter180_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 0.371206279496E+03 0.37121E+03 -0.14323E+04 632 0.799E+02
DAV: 2 0.322938821770E+01 -0.36798E+03 -0.35533E+03 869 0.194E+02
DAV: 3 -0.962918276791E+02 -0.99521E+02 -0.99198E+02 664 0.116E+02
DAV: 4 -0.101044892890E+03 -0.47531E+01 -0.47415E+01 696 0.291E+01
DAV: 5 -0.101143432047E+03 -0.98539E-01 -0.98475E-01 728 0.375E+00 0.226E+01
DAV: 6 -0.925635694112E+02 0.85799E+01 -0.30475E+01 736 0.299E+01 0.119E+01
DAV: 7 -0.917112373696E+02 0.85233E+00 -0.17253E+00 720 0.615E+00 0.478E+00
DAV: 8 -0.913406935896E+02 0.37054E+00 -0.52771E-01 728 0.395E+00 0.163E+00
DAV: 9 -0.912594310495E+02 0.81263E-01 -0.13138E-01 728 0.158E+00 0.420E-01
DAV: 10 -0.912510520804E+02 0.83790E-02 -0.42269E-02 760 0.109E+00 0.294E-01
DAV: 11 -0.912552302017E+02 -0.41781E-02 -0.11421E-02 616 0.563E-01 0.134E-01
DAV: 12 -0.912581764083E+02 -0.29462E-02 -0.26596E-03 645 0.264E-01 0.924E-02
DAV: 13 -0.912619796356E+02 -0.38032E-02 -0.12528E-03 634 0.178E-01 0.520E-02
DAV: 14 -0.912650857764E+02 -0.31061E-02 -0.66223E-04 738 0.189E-01 0.370E-02
DAV: 15 -0.912665351818E+02 -0.14494E-02 -0.30424E-04 680 0.106E-01 0.343E-02
DAV: 16 -0.912676101024E+02 -0.10749E-02 -0.17855E-04 698 0.731E-02 0.148E-02
DAV: 17 -0.912683769869E+02 -0.76688E-03 -0.87880E-05 685 0.453E-02 0.123E-02
DAV: 18 -0.912686716670E+02 -0.29468E-03 -0.34920E-05 608 0.357E-02 0.617E-03
DAV: 19 -0.912687854198E+02 -0.11375E-03 -0.11159E-05 445 0.176E-02 0.390E-03
DAV: 20 -0.912688035965E+02 -0.18177E-04 -0.53553E-06 528 0.134E-02 0.210E-03
DAV: 21 -0.912688300455E+02 -0.26449E-04 -0.31013E-06 398 0.904E-03 0.844E-04
DAV: 22 -0.912688365324E+02 -0.64869E-05 -0.12307E-06 472 0.409E-03
1 F= -.91268837E+02 E0= -.91274461E+02 d E =0.168740E-01