iterations/neb0_image07_iter273_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 0.371371603956E+03 0.37137E+03 -0.14321E+04 632 0.799E+02
DAV: 2 0.358740144971E+01 -0.36778E+03 -0.35655E+03 866 0.194E+02
DAV: 3 -0.963108275984E+02 -0.99898E+02 -0.99583E+02 656 0.116E+02
DAV: 4 -0.101158404495E+03 -0.48476E+01 -0.48345E+01 712 0.297E+01
DAV: 5 -0.101255573983E+03 -0.97169E-01 -0.97124E-01 720 0.379E+00 0.227E+01
DAV: 6 -0.926175113470E+02 0.86381E+01 -0.30958E+01 701 0.299E+01 0.119E+01
DAV: 7 -0.917568793602E+02 0.86063E+00 -0.16994E+00 736 0.612E+00 0.480E+00
DAV: 8 -0.913811117541E+02 0.37577E+00 -0.54990E-01 736 0.401E+00 0.161E+00
DAV: 9 -0.912992850151E+02 0.81827E-01 -0.12677E-01 728 0.152E+00 0.421E-01
DAV: 10 -0.912902129162E+02 0.90721E-02 -0.43325E-02 741 0.104E+00 0.296E-01
DAV: 11 -0.912951516234E+02 -0.49387E-02 -0.12762E-02 613 0.578E-01 0.151E-01
DAV: 12 -0.912982434435E+02 -0.30918E-02 -0.28309E-03 615 0.231E-01 0.104E-01
DAV: 13 -0.913020939905E+02 -0.38505E-02 -0.20051E-03 638 0.232E-01 0.491E-02
DAV: 14 -0.913054375809E+02 -0.33436E-02 -0.75568E-04 653 0.169E-01 0.288E-02
DAV: 15 -0.913067619177E+02 -0.13243E-02 -0.17628E-04 672 0.739E-02 0.236E-02
DAV: 16 -0.913077540686E+02 -0.99215E-03 -0.22763E-04 701 0.961E-02 0.170E-02
DAV: 17 -0.913082695973E+02 -0.51553E-03 -0.50538E-05 666 0.387E-02 0.142E-02
DAV: 18 -0.913084174390E+02 -0.14784E-03 -0.25212E-05 544 0.288E-02 0.725E-03
DAV: 19 -0.913085836221E+02 -0.16618E-03 -0.23533E-05 497 0.232E-02 0.297E-03
DAV: 20 -0.913086037583E+02 -0.20136E-04 -0.22214E-06 512 0.751E-03 0.254E-03
DAV: 21 -0.913086284001E+02 -0.24642E-04 -0.36934E-06 406 0.124E-02 0.165E-03
DAV: 22 -0.913086340220E+02 -0.56219E-05 -0.10786E-06 480 0.542E-03
1 F= -.91308634E+02 E0= -.91313359E+02 d E =0.141750E-01