./iterations/neb0_image05_iter120_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 0.371881298764E+03 0.37188E+03 -0.14298E+04 632 0.799E+02
DAV: 2 0.480109578053E+01 -0.36708E+03 -0.35465E+03 866 0.194E+02
DAV: 3 -0.940227796187E+02 -0.98824E+02 -0.98443E+02 629 0.116E+02
DAV: 4 -0.988443257123E+02 -0.48215E+01 -0.48078E+01 736 0.304E+01
DAV: 5 -0.989464390429E+02 -0.10211E+00 -0.10206E+00 720 0.393E+00 0.218E+01
DAV: 6 -0.905884345549E+02 0.83580E+01 -0.28872E+01 672 0.288E+01 0.112E+01
DAV: 7 -0.897213242457E+02 0.86711E+00 -0.17831E+00 728 0.663E+00 0.469E+00
DAV: 8 -0.893308387292E+02 0.39049E+00 -0.61302E-01 712 0.446E+00 0.157E+00
DAV: 9 -0.892473395249E+02 0.83499E-01 -0.12973E-01 728 0.164E+00 0.444E-01
DAV: 10 -0.892361628587E+02 0.11177E-01 -0.48256E-02 725 0.120E+00 0.331E-01
DAV: 11 -0.892382669536E+02 -0.21041E-02 -0.94613E-03 653 0.556E-01 0.119E-01
DAV: 12 -0.892406418720E+02 -0.23749E-02 -0.35764E-03 671 0.310E-01 0.117E-01
DAV: 13 -0.892458003436E+02 -0.51585E-02 -0.14548E-03 773 0.283E-01 0.639E-02
DAV: 14 -0.892485028467E+02 -0.27025E-02 -0.92227E-04 656 0.139E-01 0.458E-02
DAV: 15 -0.892511519452E+02 -0.26491E-02 -0.43510E-04 717 0.123E-01 0.264E-02
DAV: 16 -0.892525689997E+02 -0.14171E-02 -0.17197E-04 677 0.610E-02 0.234E-02
DAV: 17 -0.892534832513E+02 -0.91425E-03 -0.13077E-04 708 0.655E-02 0.951E-03
DAV: 18 -0.892538390754E+02 -0.35582E-03 -0.40674E-05 674 0.316E-02 0.799E-03
DAV: 19 -0.892539451477E+02 -0.10607E-03 -0.10477E-05 464 0.197E-02 0.396E-03
DAV: 20 -0.892540296533E+02 -0.84506E-04 -0.19981E-05 503 0.235E-02 0.593E-03
DAV: 21 -0.892540528444E+02 -0.23191E-04 -0.42768E-06 496 0.126E-02 0.336E-03
DAV: 22 -0.892540556837E+02 -0.28393E-05 -0.27137E-06 528 0.891E-03
1 F= -.89254056E+02 E0= -.89258814E+02 d E =0.142735E-01