./iterations/neb0_image04_iter275_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 0.367081478140E+03 0.36708E+03 -0.14314E+04 624 0.799E+02
DAV: 2 0.105988053125E+01 -0.36602E+03 -0.35432E+03 858 0.195E+02
DAV: 3 -0.961500646711E+02 -0.97210E+02 -0.96920E+02 664 0.116E+02
DAV: 4 -0.100427503620E+03 -0.42774E+01 -0.42678E+01 696 0.278E+01
DAV: 5 -0.100510515104E+03 -0.83011E-01 -0.82981E-01 728 0.346E+00 0.225E+01
DAV: 6 -0.917025571322E+02 0.88080E+01 -0.31566E+01 677 0.301E+01 0.118E+01
DAV: 7 -0.908340865474E+02 0.86847E+00 -0.18381E+00 720 0.659E+00 0.487E+00
DAV: 8 -0.904225067313E+02 0.41158E+00 -0.54753E-01 696 0.465E+00 0.183E+00
DAV: 9 -0.903325652000E+02 0.89942E-01 -0.15613E-01 720 0.227E+00 0.626E-01
DAV: 10 -0.903150480205E+02 0.17517E-01 -0.39478E-02 712 0.105E+00 0.364E-01
DAV: 11 -0.903167661354E+02 -0.17181E-02 -0.17336E-02 720 0.680E-01 0.272E-01
DAV: 12 -0.903193544393E+02 -0.25883E-02 -0.34345E-03 616 0.526E-01 0.155E-01
DAV: 13 -0.903226320515E+02 -0.32776E-02 -0.35148E-03 629 0.410E-01 0.122E-01
DAV: 14 -0.903251962088E+02 -0.25642E-02 -0.13726E-03 709 0.250E-01 0.625E-02
DAV: 15 -0.903287281081E+02 -0.35319E-02 -0.13990E-03 628 0.199E-01 0.577E-02
DAV: 16 -0.903303661361E+02 -0.16380E-02 -0.34884E-04 800 0.161E-01 0.330E-02
DAV: 17 -0.903321713230E+02 -0.18052E-02 -0.59454E-04 638 0.129E-01 0.441E-02
DAV: 18 -0.903325695634E+02 -0.39824E-03 -0.91315E-05 776 0.856E-02 0.219E-02
DAV: 19 -0.903328826807E+02 -0.31312E-03 -0.19952E-04 635 0.832E-02 0.139E-02
DAV: 20 -0.903330560197E+02 -0.17334E-03 -0.19381E-05 541 0.232E-02 0.151E-02
DAV: 21 -0.903331390854E+02 -0.83066E-04 -0.11877E-05 476 0.187E-02 0.109E-02
DAV: 22 -0.903331729229E+02 -0.33838E-04 -0.31244E-05 586 0.349E-02 0.420E-03
DAV: 23 -0.903331770261E+02 -0.41032E-05 -0.29859E-06 536 0.120E-02
1 F= -.90333177E+02 E0= -.90341287E+02 d E =0.243310E-01