iterations/neb0_image04_iter92_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 0.370546055502E+03 0.37055E+03 -0.14314E+04 632 0.799E+02
DAV: 2 0.440621004997E+01 -0.36614E+03 -0.35335E+03 850 0.195E+02
DAV: 3 -0.955219197773E+02 -0.99928E+02 -0.99615E+02 693 0.116E+02
DAV: 4 -0.998248691207E+02 -0.43029E+01 -0.42927E+01 712 0.274E+01
DAV: 5 -0.999069634811E+02 -0.82094E-01 -0.82061E-01 720 0.342E+00 0.222E+01
DAV: 6 -0.914094907197E+02 0.84975E+01 -0.29993E+01 682 0.295E+01 0.116E+01
DAV: 7 -0.905602772148E+02 0.84921E+00 -0.17549E+00 712 0.628E+00 0.479E+00
DAV: 8 -0.901626561495E+02 0.39762E+00 -0.55759E-01 728 0.423E+00 0.165E+00
DAV: 9 -0.900673499329E+02 0.95306E-01 -0.13453E-01 712 0.176E+00 0.438E-01
DAV: 10 -0.900578751048E+02 0.94748E-02 -0.57019E-02 712 0.134E+00 0.350E-01
DAV: 11 -0.900621140109E+02 -0.42389E-02 -0.14613E-02 613 0.716E-01 0.144E-01
DAV: 12 -0.900637798498E+02 -0.16658E-02 -0.45367E-03 653 0.309E-01 0.139E-01
DAV: 13 -0.900675029729E+02 -0.37231E-02 -0.28786E-03 845 0.398E-01 0.769E-02
DAV: 14 -0.900710060403E+02 -0.35031E-02 -0.12392E-03 650 0.167E-01 0.666E-02
DAV: 15 -0.900733212896E+02 -0.23152E-02 -0.39093E-04 733 0.128E-01 0.343E-02
DAV: 16 -0.900749626097E+02 -0.16413E-02 -0.47323E-04 680 0.116E-01 0.297E-02
DAV: 17 -0.900759859007E+02 -0.10233E-02 -0.13879E-04 687 0.690E-02 0.180E-02
DAV: 18 -0.900763055454E+02 -0.31964E-03 -0.69343E-05 664 0.402E-02 0.941E-03
DAV: 19 -0.900764510212E+02 -0.14548E-03 -0.15205E-05 455 0.225E-02 0.370E-03
DAV: 20 -0.900765020064E+02 -0.50985E-04 -0.94297E-06 453 0.141E-02 0.381E-03
DAV: 21 -0.900765277814E+02 -0.25775E-04 -0.36352E-06 433 0.865E-03 0.154E-03
DAV: 22 -0.900765335610E+02 -0.57795E-05 -0.20271E-06 480 0.713E-03
1 F= -.90076534E+02 E0= -.90080625E+02 d E =0.122739E-01