./iterations/neb0_image04_iter87_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 0.370467535185E+03 0.37047E+03 -0.14313E+04 632 0.799E+02
DAV: 2 0.437784800950E+01 -0.36609E+03 -0.35332E+03 850 0.195E+02
DAV: 3 -0.955023851843E+02 -0.99880E+02 -0.99565E+02 693 0.116E+02
DAV: 4 -0.998019427032E+02 -0.42996E+01 -0.42894E+01 704 0.274E+01
DAV: 5 -0.998845092126E+02 -0.82567E-01 -0.82530E-01 728 0.343E+00 0.222E+01
DAV: 6 -0.914007959539E+02 0.84837E+01 -0.29921E+01 682 0.295E+01 0.116E+01
DAV: 7 -0.905485115687E+02 0.85228E+00 -0.17445E+00 712 0.628E+00 0.479E+00
DAV: 8 -0.901497897169E+02 0.39872E+00 -0.56268E-01 720 0.424E+00 0.164E+00
DAV: 9 -0.900553911213E+02 0.94399E-01 -0.13316E-01 712 0.173E+00 0.437E-01
DAV: 10 -0.900460329442E+02 0.93582E-02 -0.57306E-02 712 0.134E+00 0.349E-01
DAV: 11 -0.900502877811E+02 -0.42548E-02 -0.13820E-02 621 0.695E-01 0.140E-01
DAV: 12 -0.900522596756E+02 -0.19719E-02 -0.45949E-03 650 0.306E-01 0.137E-01
DAV: 13 -0.900558633726E+02 -0.36037E-02 -0.23769E-03 842 0.371E-01 0.754E-02
DAV: 14 -0.900593562642E+02 -0.34929E-02 -0.12232E-03 653 0.164E-01 0.634E-02
DAV: 15 -0.900618786229E+02 -0.25224E-02 -0.40572E-04 733 0.124E-01 0.372E-02
DAV: 16 -0.900633422451E+02 -0.14636E-02 -0.49793E-04 680 0.119E-01 0.306E-02
DAV: 17 -0.900643415283E+02 -0.99928E-03 -0.18848E-04 804 0.861E-02 0.150E-02
DAV: 18 -0.900646257831E+02 -0.28425E-03 -0.40363E-05 608 0.317E-02 0.809E-03
DAV: 19 -0.900647830407E+02 -0.15726E-03 -0.26846E-05 500 0.234E-02 0.421E-03
DAV: 20 -0.900648103216E+02 -0.27281E-04 -0.23673E-06 512 0.881E-03 0.402E-03
DAV: 21 -0.900648474541E+02 -0.37132E-04 -0.59766E-06 395 0.110E-02 0.173E-03
DAV: 22 -0.900648513736E+02 -0.39195E-05 -0.13535E-06 496 0.646E-03
1 F= -.90064851E+02 E0= -.90069110E+02 d E =0.127751E-01