./iterations/neb0_image02_iter10_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 0.364434822183E+03 0.36443E+03 -0.14261E+04 624 0.799E+02
DAV: 2 0.363734197679E+01 -0.36080E+03 -0.34766E+03 847 0.194E+02
DAV: 3 -0.947723093200E+02 -0.98410E+02 -0.98064E+02 680 0.116E+02
DAV: 4 -0.992891066480E+02 -0.45168E+01 -0.45055E+01 696 0.278E+01
DAV: 5 -0.993798868847E+02 -0.90780E-01 -0.90720E-01 736 0.352E+00 0.222E+01
DAV: 6 -0.907190078501E+02 0.86609E+01 -0.30827E+01 720 0.298E+01 0.116E+01
DAV: 7 -0.898820744702E+02 0.83693E+00 -0.17623E+00 712 0.656E+00 0.484E+00
DAV: 8 -0.894968561051E+02 0.38522E+00 -0.63701E-01 712 0.460E+00 0.165E+00
DAV: 9 -0.894142987168E+02 0.82557E-01 -0.13039E-01 728 0.164E+00 0.448E-01
DAV: 10 -0.894077704755E+02 0.65282E-02 -0.36315E-02 712 0.102E+00 0.301E-01
DAV: 11 -0.894119062267E+02 -0.41358E-02 -0.67116E-03 632 0.506E-01 0.119E-01
DAV: 12 -0.894146432210E+02 -0.27370E-02 -0.30954E-03 648 0.285E-01 0.100E-01
DAV: 13 -0.894183807532E+02 -0.37375E-02 -0.14873E-03 737 0.274E-01 0.745E-02
DAV: 14 -0.894206522097E+02 -0.22715E-02 -0.64556E-04 680 0.126E-01 0.429E-02
DAV: 15 -0.894232235871E+02 -0.25714E-02 -0.61836E-04 693 0.143E-01 0.313E-02
DAV: 16 -0.894240993484E+02 -0.87576E-03 -0.93633E-05 752 0.820E-02 0.185E-02
DAV: 17 -0.894249285310E+02 -0.82918E-03 -0.25480E-04 786 0.977E-02 0.241E-02
DAV: 18 -0.894252174069E+02 -0.28888E-03 -0.10609E-04 808 0.689E-02 0.107E-02
DAV: 19 -0.894253330288E+02 -0.11562E-03 -0.24756E-05 616 0.320E-02 0.486E-03
DAV: 20 -0.894254562828E+02 -0.12325E-03 -0.16160E-05 426 0.201E-02 0.295E-03
DAV: 21 -0.894255100491E+02 -0.53766E-04 -0.79576E-06 477 0.103E-02 0.283E-03
DAV: 22 -0.894255205721E+02 -0.10523E-04 -0.20275E-06 496 0.794E-03 0.123E-03
DAV: 23 -0.894255273579E+02 -0.67858E-05 -0.21809E-06 439 0.746E-03
1 F= -.89425527E+02 E0= -.89432605E+02 d E =0.212321E-01