iterations/neb0_image09_iter129_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 0.374358718854E+03 0.37436E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.244545785117E+01 -0.37191E+03 -0.35961E+03 877 0.196E+02
DAV: 3 -0.966900599136E+02 -0.99136E+02 -0.98800E+02 656 0.117E+02
DAV: 4 -0.101227500162E+03 -0.45374E+01 -0.45279E+01 704 0.289E+01
DAV: 5 -0.101317082705E+03 -0.89583E-01 -0.89543E-01 736 0.367E+00 0.227E+01
DAV: 6 -0.926684354773E+02 0.86486E+01 -0.30876E+01 701 0.301E+01 0.119E+01
DAV: 7 -0.918046488751E+02 0.86379E+00 -0.17099E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.914285812463E+02 0.37607E+00 -0.54327E-01 712 0.396E+00 0.163E+00
DAV: 9 -0.913464614387E+02 0.82120E-01 -0.13076E-01 712 0.155E+00 0.423E-01
DAV: 10 -0.913377177970E+02 0.87436E-02 -0.45557E-02 776 0.112E+00 0.303E-01
DAV: 11 -0.913421490918E+02 -0.44313E-02 -0.12968E-02 624 0.593E-01 0.143E-01
DAV: 12 -0.913450998341E+02 -0.29507E-02 -0.29402E-03 629 0.243E-01 0.110E-01
DAV: 13 -0.913488904224E+02 -0.37906E-02 -0.14656E-03 677 0.207E-01 0.439E-02
DAV: 14 -0.913523010724E+02 -0.34107E-02 -0.64302E-04 672 0.143E-01 0.340E-02
DAV: 15 -0.913535813823E+02 -0.12803E-02 -0.13071E-04 696 0.745E-02 0.334E-02
DAV: 16 -0.913549968816E+02 -0.14155E-02 -0.35915E-04 644 0.965E-02 0.197E-02
DAV: 17 -0.913553110737E+02 -0.31419E-03 -0.57400E-05 688 0.568E-02 0.118E-02
DAV: 18 -0.913555569952E+02 -0.24592E-03 -0.45803E-05 562 0.315E-02 0.111E-02
DAV: 19 -0.913556470575E+02 -0.90062E-04 -0.10300E-05 480 0.181E-02 0.553E-03
DAV: 20 -0.913556797971E+02 -0.32740E-04 -0.10811E-05 448 0.212E-02 0.224E-03
DAV: 21 -0.913556991544E+02 -0.19357E-04 -0.43649E-06 439 0.102E-02 0.309E-03
DAV: 22 -0.913557029777E+02 -0.38234E-05 -0.70263E-07 496 0.452E-03
1 F= -.91355703E+02 E0= -.91360479E+02 d E =0.143295E-01