./iterations/neb0_image07_iter171_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 0.371006029655E+03 0.37101E+03 -0.14319E+04 632 0.799E+02
DAV: 2 0.320221202825E+01 -0.36780E+03 -0.35516E+03 869 0.194E+02
DAV: 3 -0.964143361451E+02 -0.99617E+02 -0.99296E+02 680 0.116E+02
DAV: 4 -0.101020092401E+03 -0.46058E+01 -0.45940E+01 688 0.286E+01
DAV: 5 -0.101114999603E+03 -0.94907E-01 -0.94834E-01 736 0.367E+00 0.226E+01
DAV: 6 -0.925486434026E+02 0.85664E+01 -0.30500E+01 736 0.299E+01 0.118E+01
DAV: 7 -0.917016870170E+02 0.84696E+00 -0.17227E+00 720 0.615E+00 0.478E+00
DAV: 8 -0.913322203606E+02 0.36947E+00 -0.52430E-01 728 0.393E+00 0.164E+00
DAV: 9 -0.912511454565E+02 0.81075E-01 -0.13144E-01 720 0.158E+00 0.421E-01
DAV: 10 -0.912428524414E+02 0.82930E-02 -0.41059E-02 762 0.108E+00 0.292E-01
DAV: 11 -0.912469619439E+02 -0.41095E-02 -0.11178E-02 608 0.561E-01 0.134E-01
DAV: 12 -0.912498429228E+02 -0.28810E-02 -0.25386E-03 628 0.266E-01 0.900E-02
DAV: 13 -0.912536397801E+02 -0.37969E-02 -0.11961E-03 634 0.176E-01 0.551E-02
DAV: 14 -0.912562596914E+02 -0.26199E-02 -0.50422E-04 800 0.162E-01 0.311E-02
DAV: 15 -0.912581494339E+02 -0.18897E-02 -0.25754E-04 671 0.914E-02 0.312E-02
DAV: 16 -0.912594624528E+02 -0.13130E-02 -0.15026E-04 669 0.583E-02 0.129E-02
DAV: 17 -0.912601120079E+02 -0.64956E-03 -0.79350E-05 685 0.425E-02 0.111E-02
DAV: 18 -0.912604193931E+02 -0.30739E-03 -0.38873E-05 586 0.314E-02 0.468E-03
DAV: 19 -0.912604866450E+02 -0.67252E-04 -0.59438E-06 472 0.136E-02 0.293E-03
DAV: 20 -0.912605077572E+02 -0.21112E-04 -0.45148E-06 458 0.134E-02 0.222E-03
DAV: 21 -0.912605209171E+02 -0.13160E-04 -0.16472E-06 431 0.801E-03 0.176E-03
DAV: 22 -0.912605272452E+02 -0.63280E-05 -0.14833E-06 419 0.665E-03
1 F= -.91260527E+02 E0= -.91266379E+02 d E =0.175545E-01