iterations/neb0_image07_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 0.374713970920E+03 0.37471E+03 -0.14285E+04 624 0.799E+02
DAV: 2 0.464521598523E+01 -0.37007E+03 -0.35891E+03 866 0.195E+02
DAV: 3 -0.962298416068E+02 -0.10088E+03 -0.10056E+03 648 0.117E+02
DAV: 4 -0.101170718222E+03 -0.49409E+01 -0.49282E+01 712 0.302E+01
DAV: 5 -0.101269741271E+03 -0.99023E-01 -0.98977E-01 728 0.387E+00 0.227E+01
DAV: 6 -0.926230692378E+02 0.86467E+01 -0.30927E+01 712 0.299E+01 0.119E+01
DAV: 7 -0.917578728744E+02 0.86520E+00 -0.17079E+00 728 0.613E+00 0.479E+00
DAV: 8 -0.913804726307E+02 0.37740E+00 -0.55200E-01 736 0.401E+00 0.161E+00
DAV: 9 -0.912983776675E+02 0.82095E-01 -0.12655E-01 736 0.152E+00 0.421E-01
DAV: 10 -0.912891447643E+02 0.92329E-02 -0.43554E-02 749 0.104E+00 0.296E-01
DAV: 11 -0.912941392784E+02 -0.49945E-02 -0.12992E-02 613 0.583E-01 0.153E-01
DAV: 12 -0.912972267762E+02 -0.30875E-02 -0.29665E-03 620 0.232E-01 0.104E-01
DAV: 13 -0.913011797003E+02 -0.39529E-02 -0.21945E-03 638 0.243E-01 0.527E-02
DAV: 14 -0.913046374322E+02 -0.34577E-02 -0.88888E-04 653 0.178E-01 0.304E-02
DAV: 15 -0.913058511760E+02 -0.12137E-02 -0.17292E-04 672 0.744E-02 0.213E-02
DAV: 16 -0.913068752199E+02 -0.10240E-02 -0.20953E-04 685 0.916E-02 0.158E-02
DAV: 17 -0.913073451963E+02 -0.46998E-03 -0.50530E-05 674 0.363E-02 0.141E-02
DAV: 18 -0.913074619397E+02 -0.11674E-03 -0.16944E-05 496 0.264E-02 0.675E-03
DAV: 19 -0.913076325907E+02 -0.17065E-03 -0.35320E-05 534 0.298E-02 0.579E-03
DAV: 20 -0.913076505457E+02 -0.17955E-04 -0.27522E-06 504 0.132E-02 0.370E-03
DAV: 21 -0.913076737587E+02 -0.23213E-04 -0.67414E-06 412 0.155E-02 0.202E-03
DAV: 22 -0.913076822543E+02 -0.84956E-05 -0.13663E-06 445 0.687E-03
1 F= -.91307682E+02 E0= -.91312443E+02 d E =0.142824E-01