iterations/neb0_image07_iter4_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 0.365677824869E+03 0.36568E+03 -0.14212E+04 624 0.799E+02
DAV: 2 0.532040048047E+01 -0.36036E+03 -0.34762E+03 866 0.193E+02
DAV: 3 -0.930948442194E+02 -0.98415E+02 -0.97941E+02 696 0.115E+02
DAV: 4 -0.975844166797E+02 -0.44896E+01 -0.44728E+01 712 0.276E+01
DAV: 5 -0.976808530438E+02 -0.96436E-01 -0.96385E-01 720 0.357E+00 0.222E+01
DAV: 6 -0.890372690818E+02 0.86436E+01 -0.32221E+01 674 0.311E+01 0.116E+01
DAV: 7 -0.882654150847E+02 0.77185E+00 -0.18070E+00 720 0.721E+00 0.491E+00
DAV: 8 -0.878795990359E+02 0.38582E+00 -0.63019E-01 704 0.444E+00 0.167E+00
DAV: 9 -0.877954598114E+02 0.84139E-01 -0.15948E-01 760 0.198E+00 0.539E-01
DAV: 10 -0.877853288167E+02 0.10131E-01 -0.19462E-02 768 0.843E-01 0.283E-01
DAV: 11 -0.877843046683E+02 0.10241E-02 -0.11544E-02 648 0.590E-01 0.191E-01
DAV: 12 -0.877874394654E+02 -0.31348E-02 -0.44195E-03 669 0.422E-01 0.100E-01
DAV: 13 -0.877914902351E+02 -0.40508E-02 -0.19161E-03 625 0.219E-01 0.918E-02
DAV: 14 -0.877951579771E+02 -0.36677E-02 -0.12283E-03 633 0.180E-01 0.346E-02
DAV: 15 -0.877974495723E+02 -0.22916E-02 -0.29729E-04 685 0.850E-02 0.286E-02
DAV: 16 -0.877996211850E+02 -0.21716E-02 -0.25847E-04 665 0.798E-02 0.140E-02
DAV: 17 -0.878001812794E+02 -0.56009E-03 -0.42888E-05 624 0.379E-02 0.121E-02
DAV: 18 -0.878005871463E+02 -0.40587E-03 -0.71085E-05 663 0.450E-02 0.947E-03
DAV: 19 -0.878006682617E+02 -0.81115E-04 -0.10166E-05 512 0.288E-02 0.473E-03
DAV: 20 -0.878007537355E+02 -0.85474E-04 -0.22700E-05 454 0.237E-02 0.537E-03
DAV: 21 -0.878007700234E+02 -0.16288E-04 -0.27939E-06 493 0.151E-02 0.220E-03
DAV: 22 -0.878007852733E+02 -0.15250E-04 -0.98923E-06 409 0.186E-02 0.475E-03
DAV: 23 -0.878007878222E+02 -0.25488E-05 -0.14410E-06 485 0.929E-03
1 F= -.87800788E+02 E0= -.87805600E+02 d E =0.144367E-01