./iterations/neb0_image02_iter107_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 0.364885213083E+03 0.36489E+03 -0.14329E+04 632 0.799E+02
DAV: 2 0.403552272411E+01 -0.36085E+03 -0.34622E+03 834 0.194E+02
DAV: 3 -0.956089672870E+02 -0.99644E+02 -0.99314E+02 680 0.116E+02
DAV: 4 -0.100192477392E+03 -0.45835E+01 -0.45727E+01 704 0.282E+01
DAV: 5 -0.100281852334E+03 -0.89375E-01 -0.89333E-01 736 0.353E+00 0.222E+01
DAV: 6 -0.916632834800E+02 0.86186E+01 -0.30962E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908442906334E+02 0.81899E+00 -0.18287E+00 704 0.633E+00 0.483E+00
DAV: 8 -0.904591370190E+02 0.38515E+00 -0.55703E-01 704 0.427E+00 0.169E+00
DAV: 9 -0.903693296136E+02 0.89807E-01 -0.13827E-01 704 0.166E+00 0.432E-01
DAV: 10 -0.903630590416E+02 0.62706E-02 -0.48565E-02 704 0.128E+00 0.325E-01
DAV: 11 -0.903667810764E+02 -0.37220E-02 -0.74867E-03 608 0.502E-01 0.143E-01
DAV: 12 -0.903701940084E+02 -0.34129E-02 -0.73317E-03 632 0.465E-01 0.134E-01
DAV: 13 -0.903728190879E+02 -0.26251E-02 -0.16303E-03 936 0.339E-01 0.801E-02
DAV: 14 -0.903759231162E+02 -0.31040E-02 -0.14012E-03 634 0.180E-01 0.597E-02
DAV: 15 -0.903781525617E+02 -0.22294E-02 -0.37500E-04 680 0.108E-01 0.451E-02
DAV: 16 -0.903795822274E+02 -0.14297E-02 -0.71640E-04 653 0.153E-01 0.335E-02
DAV: 17 -0.903804646747E+02 -0.88245E-03 -0.15683E-04 714 0.849E-02 0.221E-02
DAV: 18 -0.903806163883E+02 -0.15171E-03 -0.52344E-05 712 0.372E-02 0.106E-02
DAV: 19 -0.903808196719E+02 -0.20328E-03 -0.34452E-05 551 0.293E-02 0.410E-03
DAV: 20 -0.903808679122E+02 -0.48240E-04 -0.43934E-06 480 0.140E-02 0.455E-03
DAV: 21 -0.903809060652E+02 -0.38153E-04 -0.73060E-06 423 0.168E-02 0.545E-03
DAV: 22 -0.903809293579E+02 -0.23293E-04 -0.46024E-06 469 0.136E-02 0.315E-03
DAV: 23 -0.903809315030E+02 -0.21451E-05 -0.47473E-06 544 0.120E-02
1 F= -.90380932E+02 E0= -.90386388E+02 d E =0.163709E-01