iterations/neb0_image01_iter281_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 0.362414890633E+03 0.36241E+03 -0.14326E+04 632 0.799E+02
DAV: 2 0.295385093831E+01 -0.35946E+03 -0.34720E+03 828 0.195E+02
DAV: 3 -0.956339360470E+02 -0.98588E+02 -0.98245E+02 672 0.115E+02
DAV: 4 -0.100197236884E+03 -0.45633E+01 -0.45509E+01 696 0.283E+01
DAV: 5 -0.100285444322E+03 -0.88207E-01 -0.88164E-01 728 0.355E+00 0.222E+01
DAV: 6 -0.916908680306E+02 0.85946E+01 -0.30954E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908925738963E+02 0.79829E+00 -0.18473E+00 720 0.639E+00 0.483E+00
DAV: 8 -0.905154444560E+02 0.37713E+00 -0.55073E-01 704 0.429E+00 0.169E+00
DAV: 9 -0.904295882554E+02 0.85856E-01 -0.13659E-01 720 0.165E+00 0.427E-01
DAV: 10 -0.904243685826E+02 0.52197E-02 -0.44860E-02 693 0.124E+00 0.314E-01
DAV: 11 -0.904281114545E+02 -0.37429E-02 -0.64641E-03 608 0.478E-01 0.144E-01
DAV: 12 -0.904316296401E+02 -0.35182E-02 -0.71910E-03 623 0.499E-01 0.130E-01
DAV: 13 -0.904343074341E+02 -0.26778E-02 -0.15482E-03 864 0.313E-01 0.761E-02
DAV: 14 -0.904373608598E+02 -0.30534E-02 -0.13394E-03 642 0.173E-01 0.577E-02
DAV: 15 -0.904394444603E+02 -0.20836E-02 -0.39281E-04 680 0.115E-01 0.450E-02
DAV: 16 -0.904408940334E+02 -0.14496E-02 -0.77243E-04 666 0.163E-01 0.349E-02
DAV: 17 -0.904416323281E+02 -0.73829E-03 -0.14336E-04 736 0.863E-02 0.230E-02
DAV: 18 -0.904418296698E+02 -0.19734E-03 -0.70749E-05 677 0.417E-02 0.997E-03
DAV: 19 -0.904420383160E+02 -0.20865E-03 -0.39667E-05 556 0.301E-02 0.492E-03
DAV: 20 -0.904420643048E+02 -0.25989E-04 -0.42199E-06 488 0.151E-02 0.593E-03
DAV: 21 -0.904421033696E+02 -0.39065E-04 -0.75984E-06 404 0.162E-02 0.517E-03
DAV: 22 -0.904421182940E+02 -0.14924E-04 -0.35734E-06 480 0.131E-02 0.286E-03
DAV: 23 -0.904421202519E+02 -0.19579E-05 -0.40505E-06 544 0.117E-02
1 F= -.90442120E+02 E0= -.90447704E+02 d E =0.167502E-01