./iterations/neb0_image08_iter206_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 0.373506618682E+03 0.37351E+03 -0.14279E+04 624 0.799E+02
DAV: 2 0.351079662143E+01 -0.37000E+03 -0.35761E+03 869 0.196E+02
DAV: 3 -0.967010860974E+02 -0.10021E+03 -0.99904E+02 669 0.116E+02
DAV: 4 -0.101244587889E+03 -0.45435E+01 -0.45307E+01 720 0.287E+01
DAV: 5 -0.101333090563E+03 -0.88503E-01 -0.88448E-01 720 0.363E+00 0.227E+01
DAV: 6 -0.926518747756E+02 0.86812E+01 -0.31049E+01 712 0.301E+01 0.119E+01
DAV: 7 -0.917911458010E+02 0.86073E+00 -0.17326E+00 720 0.614E+00 0.479E+00
DAV: 8 -0.914165490840E+02 0.37460E+00 -0.53759E-01 720 0.393E+00 0.162E+00
DAV: 9 -0.913359563294E+02 0.80593E-01 -0.13257E-01 728 0.155E+00 0.419E-01
DAV: 10 -0.913280454320E+02 0.79109E-02 -0.45444E-02 752 0.109E+00 0.304E-01
DAV: 11 -0.913329247747E+02 -0.48793E-02 -0.14403E-02 616 0.627E-01 0.153E-01
DAV: 12 -0.913357050984E+02 -0.27803E-02 -0.28062E-03 628 0.241E-01 0.107E-01
DAV: 13 -0.913392651802E+02 -0.35601E-02 -0.21380E-03 634 0.239E-01 0.487E-02
DAV: 14 -0.913427179630E+02 -0.34528E-02 -0.93898E-04 661 0.193E-01 0.356E-02
DAV: 15 -0.913437541414E+02 -0.10362E-02 -0.22733E-04 688 0.911E-02 0.273E-02
DAV: 16 -0.913446245551E+02 -0.87041E-03 -0.17481E-04 685 0.818E-02 0.111E-02
DAV: 17 -0.913453663495E+02 -0.74179E-03 -0.72379E-05 650 0.374E-02 0.143E-02
DAV: 18 -0.913455864738E+02 -0.22012E-03 -0.22205E-05 568 0.262E-02 0.841E-03
DAV: 19 -0.913457184942E+02 -0.13202E-03 -0.39743E-05 615 0.337E-02 0.741E-03
DAV: 20 -0.913457289625E+02 -0.10468E-04 -0.35050E-06 528 0.178E-02 0.377E-03
DAV: 21 -0.913457387893E+02 -0.98268E-05 -0.47987E-06 412 0.116E-02
1 F= -.91345739E+02 E0= -.91350717E+02 d E =0.149343E-01