iterations/neb0_image08_iter169_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 0.373626511916E+03 0.37363E+03 -0.14277E+04 624 0.799E+02
DAV: 2 0.270607478584E+01 -0.37092E+03 -0.35954E+03 871 0.196E+02
DAV: 3 -0.967179026492E+02 -0.99424E+02 -0.99118E+02 669 0.116E+02
DAV: 4 -0.101209706158E+03 -0.44918E+01 -0.44803E+01 704 0.284E+01
DAV: 5 -0.101299425953E+03 -0.89720E-01 -0.89667E-01 712 0.362E+00 0.227E+01
DAV: 6 -0.926428300240E+02 0.86566E+01 -0.30989E+01 725 0.301E+01 0.118E+01
DAV: 7 -0.917845449295E+02 0.85829E+00 -0.17186E+00 720 0.615E+00 0.479E+00
DAV: 8 -0.914109902251E+02 0.37355E+00 -0.54421E-01 720 0.396E+00 0.162E+00
DAV: 9 -0.913304509537E+02 0.80539E-01 -0.12921E-01 712 0.154E+00 0.420E-01
DAV: 10 -0.913222193484E+02 0.82316E-02 -0.42878E-02 768 0.107E+00 0.295E-01
DAV: 11 -0.913269891110E+02 -0.47698E-02 -0.12299E-02 608 0.578E-01 0.142E-01
DAV: 12 -0.913298563533E+02 -0.28672E-02 -0.26257E-03 633 0.250E-01 0.954E-02
DAV: 13 -0.913332740519E+02 -0.34177E-02 -0.14290E-03 634 0.185E-01 0.475E-02
DAV: 14 -0.913371968291E+02 -0.39228E-02 -0.12662E-03 722 0.250E-01 0.540E-02
DAV: 15 -0.913378081249E+02 -0.61130E-03 -0.32141E-04 712 0.117E-01 0.382E-02
DAV: 16 -0.913385300398E+02 -0.72191E-03 -0.22334E-04 760 0.880E-02 0.151E-02
DAV: 17 -0.913395282283E+02 -0.99819E-03 -0.14738E-04 653 0.587E-02 0.159E-02
DAV: 18 -0.913397984773E+02 -0.27025E-03 -0.22628E-05 600 0.216E-02 0.115E-02
DAV: 19 -0.913399412209E+02 -0.14274E-03 -0.43570E-05 629 0.376E-02 0.501E-03
DAV: 20 -0.913399595955E+02 -0.18375E-04 -0.39619E-06 520 0.142E-02 0.353E-03
DAV: 21 -0.913399732393E+02 -0.13644E-04 -0.30088E-06 418 0.915E-03 0.115E-03
DAV: 22 -0.913399801161E+02 -0.68768E-05 -0.96066E-07 448 0.418E-03
1 F= -.91339980E+02 E0= -.91345360E+02 d E =0.161397E-01