iterations/neb0_image09_iter60_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 0.374689292561E+03 0.37469E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.252072108925E+01 -0.37217E+03 -0.35980E+03 877 0.196E+02
DAV: 3 -0.968682016993E+02 -0.99389E+02 -0.99054E+02 672 0.117E+02
DAV: 4 -0.101244346761E+03 -0.43761E+01 -0.43672E+01 696 0.280E+01
DAV: 5 -0.101330381752E+03 -0.86035E-01 -0.85997E-01 736 0.355E+00 0.227E+01
DAV: 6 -0.926702981511E+02 0.86601E+01 -0.30890E+01 709 0.301E+01 0.119E+01
DAV: 7 -0.917999331226E+02 0.87037E+00 -0.17202E+00 728 0.616E+00 0.480E+00
DAV: 8 -0.914217067306E+02 0.37823E+00 -0.54572E-01 712 0.397E+00 0.163E+00
DAV: 9 -0.913391801286E+02 0.82527E-01 -0.13090E-01 704 0.155E+00 0.425E-01
DAV: 10 -0.913302159721E+02 0.89642E-02 -0.46900E-02 768 0.114E+00 0.306E-01
DAV: 11 -0.913347565356E+02 -0.45406E-02 -0.13841E-02 613 0.612E-01 0.148E-01
DAV: 12 -0.913376955667E+02 -0.29390E-02 -0.30987E-03 631 0.242E-01 0.122E-01
DAV: 13 -0.913416134992E+02 -0.39179E-02 -0.20755E-03 720 0.251E-01 0.452E-02
DAV: 14 -0.913448000044E+02 -0.31865E-02 -0.48315E-04 661 0.115E-01 0.328E-02
DAV: 15 -0.913466614379E+02 -0.18614E-02 -0.15685E-04 680 0.611E-02 0.315E-02
DAV: 16 -0.913477857783E+02 -0.11243E-02 -0.30780E-04 661 0.867E-02 0.202E-02
DAV: 17 -0.913480073517E+02 -0.22157E-03 -0.36430E-05 640 0.424E-02 0.125E-02
DAV: 18 -0.913482696891E+02 -0.26234E-03 -0.56769E-05 614 0.350E-02 0.951E-03
DAV: 19 -0.913483119802E+02 -0.42291E-04 -0.58016E-06 504 0.205E-02 0.466E-03
DAV: 20 -0.913483500166E+02 -0.38036E-04 -0.16947E-05 401 0.249E-02 0.499E-03
DAV: 21 -0.913483687252E+02 -0.18709E-04 -0.33636E-06 464 0.106E-02 0.386E-03
DAV: 22 -0.913483716818E+02 -0.29566E-05 -0.25184E-06 512 0.106E-02
1 F= -.91348372E+02 E0= -.91353021E+02 d E =0.139484E-01