./iterations/neb0_image04_iter229_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 0.368418052350E+03 0.36842E+03 -0.14294E+04 624 0.799E+02
DAV: 2 0.164453103005E+01 -0.36677E+03 -0.35515E+03 869 0.195E+02
DAV: 3 -0.960355077153E+02 -0.97680E+02 -0.97390E+02 661 0.116E+02
DAV: 4 -0.100312018879E+03 -0.42765E+01 -0.42675E+01 704 0.279E+01
DAV: 5 -0.100395407783E+03 -0.83389E-01 -0.83353E-01 736 0.349E+00 0.224E+01
DAV: 6 -0.916796492274E+02 0.87158E+01 -0.31173E+01 682 0.299E+01 0.117E+01
DAV: 7 -0.908132209152E+02 0.86643E+00 -0.17820E+00 712 0.649E+00 0.484E+00
DAV: 8 -0.903997489671E+02 0.41347E+00 -0.54962E-01 696 0.449E+00 0.176E+00
DAV: 9 -0.903083597488E+02 0.91389E-01 -0.15462E-01 728 0.202E+00 0.548E-01
DAV: 10 -0.902952456492E+02 0.13114E-01 -0.35133E-02 712 0.990E-01 0.344E-01
DAV: 11 -0.902968904334E+02 -0.16448E-02 -0.11348E-02 712 0.532E-01 0.210E-01
DAV: 12 -0.903001531376E+02 -0.32627E-02 -0.28798E-03 621 0.405E-01 0.134E-01
DAV: 13 -0.903032584482E+02 -0.31053E-02 -0.17993E-03 625 0.313E-01 0.107E-01
DAV: 14 -0.903074213796E+02 -0.41629E-02 -0.27401E-03 678 0.320E-01 0.584E-02
DAV: 15 -0.903088763597E+02 -0.14550E-02 -0.34750E-04 688 0.110E-01 0.471E-02
DAV: 16 -0.903115884739E+02 -0.27121E-02 -0.11354E-03 743 0.228E-01 0.468E-02
DAV: 17 -0.903122740351E+02 -0.68556E-03 -0.17550E-04 680 0.879E-02 0.388E-02
DAV: 18 -0.903128463194E+02 -0.57228E-03 -0.18452E-04 719 0.782E-02 0.142E-02
DAV: 19 -0.903133047477E+02 -0.45843E-03 -0.93482E-05 714 0.560E-02 0.115E-02
DAV: 20 -0.903134957711E+02 -0.19102E-03 -0.14200E-05 469 0.180E-02 0.103E-02
DAV: 21 -0.903135795211E+02 -0.83750E-04 -0.12334E-05 488 0.182E-02 0.470E-03
DAV: 22 -0.903136307827E+02 -0.51262E-04 -0.13489E-05 444 0.193E-02 0.292E-03
DAV: 23 -0.903136366972E+02 -0.59145E-05 -0.21209E-06 520 0.727E-03
1 F= -.90313637E+02 E0= -.90321921E+02 d E =0.248542E-01