./iterations/neb0_image04_iter261_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 0.367181315467E+03 0.36718E+03 -0.14301E+04 624 0.799E+02
DAV: 2 0.938405295685E+00 -0.36624E+03 -0.35501E+03 855 0.195E+02
DAV: 3 -0.960900128951E+02 -0.97028E+02 -0.96738E+02 664 0.116E+02
DAV: 4 -0.100348818115E+03 -0.42588E+01 -0.42495E+01 696 0.277E+01
DAV: 5 -0.100432271686E+03 -0.83454E-01 -0.83425E-01 728 0.346E+00 0.224E+01
DAV: 6 -0.916977328658E+02 0.87345E+01 -0.31239E+01 690 0.299E+01 0.117E+01
DAV: 7 -0.908376266070E+02 0.86011E+00 -0.18234E+00 704 0.658E+00 0.485E+00
DAV: 8 -0.904245867394E+02 0.41304E+00 -0.55042E-01 704 0.456E+00 0.178E+00
DAV: 9 -0.903329341306E+02 0.91653E-01 -0.15563E-01 720 0.210E+00 0.572E-01
DAV: 10 -0.903185318472E+02 0.14402E-01 -0.38165E-02 712 0.103E+00 0.351E-01
DAV: 11 -0.903202406132E+02 -0.17088E-02 -0.12122E-02 712 0.560E-01 0.224E-01
DAV: 12 -0.903232866361E+02 -0.30460E-02 -0.30779E-03 685 0.443E-01 0.135E-01
DAV: 13 -0.903264955802E+02 -0.32089E-02 -0.22766E-03 626 0.334E-01 0.112E-01
DAV: 14 -0.903302989890E+02 -0.38034E-02 -0.24780E-03 721 0.320E-01 0.571E-02
DAV: 15 -0.903322364777E+02 -0.19375E-02 -0.46053E-04 664 0.115E-01 0.491E-02
DAV: 16 -0.903346070611E+02 -0.23706E-02 -0.77404E-04 772 0.189E-01 0.330E-02
DAV: 17 -0.903356548082E+02 -0.10477E-02 -0.17187E-04 680 0.693E-02 0.328E-02
DAV: 18 -0.903362193397E+02 -0.56453E-03 -0.98664E-05 716 0.625E-02 0.153E-02
DAV: 19 -0.903366576076E+02 -0.43827E-03 -0.12312E-04 666 0.661E-02 0.136E-02
DAV: 20 -0.903367484046E+02 -0.90797E-04 -0.10342E-05 512 0.212E-02 0.103E-02
DAV: 21 -0.903368092006E+02 -0.60796E-04 -0.18837E-05 476 0.267E-02 0.266E-03
DAV: 22 -0.903368619710E+02 -0.52770E-04 -0.71847E-06 431 0.126E-02 0.204E-03
DAV: 23 -0.903368695616E+02 -0.75906E-05 -0.15841E-06 504 0.595E-03
1 F= -.90336870E+02 E0= -.90345183E+02 d E =0.249396E-01