./iterations/neb0_image02_iter122_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 0.367851848402E+03 0.36785E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.458963276123E+01 -0.36326E+03 -0.34868E+03 834 0.195E+02
DAV: 3 -0.955180684999E+02 -0.10011E+03 -0.99773E+02 672 0.117E+02
DAV: 4 -0.100199129447E+03 -0.46811E+01 -0.46696E+01 720 0.287E+01
DAV: 5 -0.100290775377E+03 -0.91646E-01 -0.91609E-01 728 0.359E+00 0.222E+01
DAV: 6 -0.916736327076E+02 0.86171E+01 -0.30890E+01 696 0.299E+01 0.117E+01
DAV: 7 -0.908521174265E+02 0.82152E+00 -0.18422E+00 704 0.634E+00 0.483E+00
DAV: 8 -0.904679941027E+02 0.38412E+00 -0.55707E-01 696 0.427E+00 0.169E+00
DAV: 9 -0.903789789373E+02 0.89015E-01 -0.13932E-01 704 0.166E+00 0.434E-01
DAV: 10 -0.903728858378E+02 0.60931E-02 -0.48249E-02 696 0.130E+00 0.325E-01
DAV: 11 -0.903763820911E+02 -0.34963E-02 -0.71116E-03 608 0.496E-01 0.153E-01
DAV: 12 -0.903797987742E+02 -0.34167E-02 -0.80200E-03 624 0.498E-01 0.136E-01
DAV: 13 -0.903825330295E+02 -0.27343E-02 -0.17457E-03 936 0.349E-01 0.806E-02
DAV: 14 -0.903855741635E+02 -0.30411E-02 -0.13671E-03 640 0.174E-01 0.599E-02
DAV: 15 -0.903878174832E+02 -0.22433E-02 -0.38409E-04 669 0.108E-01 0.443E-02
DAV: 16 -0.903893061531E+02 -0.14887E-02 -0.69029E-04 656 0.150E-01 0.327E-02
DAV: 17 -0.903901529715E+02 -0.84682E-03 -0.13929E-04 669 0.796E-02 0.227E-02
DAV: 18 -0.903903481768E+02 -0.19521E-03 -0.64161E-05 680 0.404E-02 0.968E-03
DAV: 19 -0.903905165667E+02 -0.16839E-03 -0.24903E-05 474 0.260E-02 0.290E-03
DAV: 20 -0.903905729673E+02 -0.56401E-04 -0.68000E-06 480 0.129E-02 0.487E-03
DAV: 21 -0.903906059234E+02 -0.32956E-04 -0.45444E-06 434 0.132E-02 0.460E-03
DAV: 22 -0.903906257313E+02 -0.19808E-04 -0.47026E-06 466 0.119E-02 0.305E-03
DAV: 23 -0.903906275198E+02 -0.17885E-05 -0.33932E-06 544 0.112E-02
1 F= -.90390628E+02 E0= -.90396641E+02 d E =0.180403E-01