./iterations/neb0_image03_iter28_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 0.367908400010E+03 0.36791E+03 -0.14326E+04 632 0.799E+02
DAV: 2 0.403317464850E+01 -0.36388E+03 -0.35072E+03 845 0.195E+02
DAV: 3 -0.954549921085E+02 -0.99488E+02 -0.99158E+02 680 0.116E+02
DAV: 4 -0.999152629436E+02 -0.44603E+01 -0.44487E+01 720 0.281E+01
DAV: 5 -0.999994520754E+02 -0.84189E-01 -0.84146E-01 736 0.350E+00 0.222E+01
DAV: 6 -0.913033009090E+02 0.86962E+01 -0.30867E+01 701 0.299E+01 0.116E+01
DAV: 7 -0.904521279023E+02 0.85117E+00 -0.18420E+00 720 0.637E+00 0.483E+00
DAV: 8 -0.900440549463E+02 0.40807E+00 -0.58848E-01 704 0.441E+00 0.167E+00
DAV: 9 -0.899478578690E+02 0.96197E-01 -0.14292E-01 712 0.177E+00 0.442E-01
DAV: 10 -0.899390803477E+02 0.87775E-02 -0.49695E-02 720 0.122E+00 0.335E-01
DAV: 11 -0.899433122160E+02 -0.42319E-02 -0.10198E-02 605 0.580E-01 0.123E-01
DAV: 12 -0.899458413927E+02 -0.25292E-02 -0.44922E-03 634 0.305E-01 0.130E-01
DAV: 13 -0.899491356558E+02 -0.32943E-02 -0.23928E-03 848 0.391E-01 0.740E-02
DAV: 14 -0.899525547416E+02 -0.34191E-02 -0.12491E-03 637 0.187E-01 0.626E-02
DAV: 15 -0.899547457802E+02 -0.21910E-02 -0.33967E-04 733 0.110E-01 0.385E-02
DAV: 16 -0.899563193178E+02 -0.15735E-02 -0.57502E-04 656 0.131E-01 0.320E-02
DAV: 17 -0.899570881129E+02 -0.76880E-03 -0.93675E-05 733 0.653E-02 0.212E-02
DAV: 18 -0.899574492813E+02 -0.36117E-03 -0.10110E-04 661 0.530E-02 0.872E-03
DAV: 19 -0.899575731560E+02 -0.12387E-03 -0.10164E-05 469 0.170E-02 0.610E-03
DAV: 20 -0.899576552563E+02 -0.82100E-04 -0.15045E-05 469 0.186E-02 0.452E-03
DAV: 21 -0.899576831971E+02 -0.27941E-04 -0.46805E-06 458 0.120E-02 0.341E-03
DAV: 22 -0.899576956645E+02 -0.12467E-04 -0.33409E-06 434 0.112E-02 0.201E-03
DAV: 23 -0.899576977506E+02 -0.20861E-05 -0.12695E-06 512 0.662E-03
1 F= -.89957698E+02 E0= -.89962938E+02 d E =0.157218E-01