./iterations/neb0_image09_iter90_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 0.374437009451E+03 0.37444E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.248697724367E+01 -0.37195E+03 -0.35960E+03 877 0.196E+02
DAV: 3 -0.966800172299E+02 -0.99167E+02 -0.98828E+02 656 0.117E+02
DAV: 4 -0.101221251988E+03 -0.45412E+01 -0.45319E+01 696 0.289E+01
DAV: 5 -0.101311288750E+03 -0.90037E-01 -0.89998E-01 736 0.369E+00 0.227E+01
DAV: 6 -0.926669303713E+02 0.86444E+01 -0.30839E+01 701 0.301E+01 0.119E+01
DAV: 7 -0.918009864028E+02 0.86594E+00 -0.17110E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.914239846617E+02 0.37700E+00 -0.54644E-01 712 0.397E+00 0.163E+00
DAV: 9 -0.913418973754E+02 0.82087E-01 -0.13038E-01 701 0.155E+00 0.424E-01
DAV: 10 -0.913330162049E+02 0.88812E-02 -0.45693E-02 768 0.112E+00 0.303E-01
DAV: 11 -0.913375157515E+02 -0.44995E-02 -0.12863E-02 613 0.591E-01 0.143E-01
DAV: 12 -0.913405028042E+02 -0.29871E-02 -0.29911E-03 620 0.245E-01 0.115E-01
DAV: 13 -0.913443125623E+02 -0.38098E-02 -0.16203E-03 728 0.221E-01 0.443E-02
DAV: 14 -0.913476376701E+02 -0.33251E-02 -0.57813E-04 661 0.133E-01 0.335E-02
DAV: 15 -0.913491418234E+02 -0.15042E-02 -0.15163E-04 672 0.740E-02 0.355E-02
DAV: 16 -0.913504586875E+02 -0.13169E-02 -0.36606E-04 647 0.994E-02 0.209E-02
DAV: 17 -0.913507102515E+02 -0.25156E-03 -0.50146E-05 688 0.541E-02 0.128E-02
DAV: 18 -0.913509578178E+02 -0.24757E-03 -0.49408E-05 580 0.348E-02 0.115E-02
DAV: 19 -0.913510574808E+02 -0.99663E-04 -0.10560E-05 480 0.195E-02 0.573E-03
DAV: 20 -0.913510936520E+02 -0.36171E-04 -0.12506E-05 448 0.212E-02 0.222E-03
DAV: 21 -0.913511184134E+02 -0.24761E-04 -0.44074E-06 420 0.959E-03 0.261E-03
DAV: 22 -0.913511211376E+02 -0.27241E-05 -0.65731E-07 512 0.387E-03
1 F= -.91351121E+02 E0= -.91355962E+02 d E =0.145211E-01