iterations/neb0_image08_iter288_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 0.375389920527E+03 0.37539E+03 -0.14290E+04 624 0.799E+02
DAV: 2 0.369610469011E+01 -0.37169E+03 -0.36029E+03 877 0.196E+02
DAV: 3 -0.964606628771E+02 -0.10016E+03 -0.99804E+02 648 0.117E+02
DAV: 4 -0.101264450471E+03 -0.48038E+01 -0.47928E+01 696 0.299E+01
DAV: 5 -0.101359813394E+03 -0.95363E-01 -0.95323E-01 728 0.381E+00 0.228E+01
DAV: 6 -0.926627416810E+02 0.86971E+01 -0.30827E+01 714 0.300E+01 0.120E+01
DAV: 7 -0.917847278328E+02 0.87801E+00 -0.17135E+00 728 0.614E+00 0.480E+00
DAV: 8 -0.914098894285E+02 0.37484E+00 -0.54318E-01 728 0.398E+00 0.162E+00
DAV: 9 -0.913286146993E+02 0.81275E-01 -0.12994E-01 736 0.154E+00 0.422E-01
DAV: 10 -0.913200972674E+02 0.85174E-02 -0.45119E-02 765 0.108E+00 0.304E-01
DAV: 11 -0.913250273346E+02 -0.49301E-02 -0.14517E-02 608 0.625E-01 0.158E-01
DAV: 12 -0.913278527774E+02 -0.28254E-02 -0.29387E-03 634 0.235E-01 0.107E-01
DAV: 13 -0.913317926645E+02 -0.39399E-02 -0.26581E-03 639 0.264E-01 0.588E-02
DAV: 14 -0.913352041398E+02 -0.34115E-02 -0.10320E-03 661 0.186E-01 0.303E-02
DAV: 15 -0.913364969567E+02 -0.12928E-02 -0.17789E-04 672 0.724E-02 0.198E-02
DAV: 16 -0.913374601607E+02 -0.96320E-03 -0.15776E-04 650 0.763E-02 0.119E-02
DAV: 17 -0.913379057959E+02 -0.44564E-03 -0.46458E-05 664 0.307E-02 0.117E-02
DAV: 18 -0.913380127317E+02 -0.10694E-03 -0.99362E-06 496 0.207E-02 0.563E-03
DAV: 19 -0.913381629950E+02 -0.15026E-03 -0.31250E-05 524 0.273E-02 0.550E-03
DAV: 20 -0.913381728649E+02 -0.98699E-05 -0.23948E-06 520 0.119E-02
1 F= -.91338173E+02 E0= -.91343023E+02 d E =0.145504E-01