iterations/neb0_image08_iter211_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 0.373123727885E+03 0.37312E+03 -0.14276E+04 624 0.799E+02
DAV: 2 0.260984428447E+01 -0.37051E+03 -0.35883E+03 877 0.196E+02
DAV: 3 -0.967198347938E+02 -0.99330E+02 -0.99029E+02 664 0.116E+02
DAV: 4 -0.101202734678E+03 -0.44829E+01 -0.44702E+01 720 0.285E+01
DAV: 5 -0.101290735560E+03 -0.88001E-01 -0.87952E-01 728 0.361E+00 0.226E+01
DAV: 6 -0.926369416045E+02 0.86538E+01 -0.31083E+01 714 0.301E+01 0.118E+01
DAV: 7 -0.917852753299E+02 0.85167E+00 -0.17150E+00 720 0.613E+00 0.479E+00
DAV: 8 -0.914122727540E+02 0.37300E+00 -0.54145E-01 720 0.394E+00 0.162E+00
DAV: 9 -0.913322897394E+02 0.79983E-01 -0.13055E-01 728 0.154E+00 0.418E-01
DAV: 10 -0.913244451828E+02 0.78446E-02 -0.44132E-02 752 0.107E+00 0.299E-01
DAV: 11 -0.913293246512E+02 -0.48795E-02 -0.13150E-02 608 0.596E-01 0.145E-01
DAV: 12 -0.913322310307E+02 -0.29064E-02 -0.26226E-03 636 0.228E-01 0.110E-01
DAV: 13 -0.913358259003E+02 -0.35949E-02 -0.21975E-03 642 0.243E-01 0.479E-02
DAV: 14 -0.913389740619E+02 -0.31482E-02 -0.69876E-04 653 0.161E-01 0.265E-02
DAV: 15 -0.913402919654E+02 -0.13179E-02 -0.15896E-04 680 0.694E-02 0.242E-02
DAV: 16 -0.913412608314E+02 -0.96887E-03 -0.15944E-04 645 0.755E-02 0.115E-02
DAV: 17 -0.913418478332E+02 -0.58700E-03 -0.53101E-05 661 0.351E-02 0.131E-02
DAV: 18 -0.913420590095E+02 -0.21118E-03 -0.30161E-05 584 0.304E-02 0.600E-03
DAV: 19 -0.913421571222E+02 -0.98113E-04 -0.16017E-05 442 0.199E-02 0.425E-03
DAV: 20 -0.913421754559E+02 -0.18334E-04 -0.31798E-06 512 0.904E-03 0.314E-03
DAV: 21 -0.913421835996E+02 -0.81437E-05 -0.19781E-06 421 0.912E-03
1 F= -.91342184E+02 E0= -.91346972E+02 d E =0.143640E-01