iterations/neb0_image01_iter14_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 0.365585988209E+03 0.36559E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.255958779795E+01 -0.36303E+03 -0.35114E+03 847 0.195E+02
DAV: 3 -0.956979042565E+02 -0.98257E+02 -0.97935E+02 669 0.116E+02
DAV: 4 -0.100114356731E+03 -0.44165E+01 -0.44053E+01 704 0.281E+01
DAV: 5 -0.100200935868E+03 -0.86579E-01 -0.86533E-01 736 0.352E+00 0.222E+01
DAV: 6 -0.914761991283E+02 0.87247E+01 -0.31533E+01 704 0.301E+01 0.116E+01
DAV: 7 -0.906807120346E+02 0.79549E+00 -0.18373E+00 712 0.631E+00 0.483E+00
DAV: 8 -0.903028344629E+02 0.37788E+00 -0.54789E-01 712 0.426E+00 0.171E+00
DAV: 9 -0.902150155052E+02 0.87819E-01 -0.13966E-01 728 0.165E+00 0.429E-01
DAV: 10 -0.902095642873E+02 0.54512E-02 -0.45574E-02 720 0.120E+00 0.315E-01
DAV: 11 -0.902138360764E+02 -0.42718E-02 -0.70314E-03 608 0.522E-01 0.123E-01
DAV: 12 -0.902173799089E+02 -0.35438E-02 -0.65493E-03 624 0.430E-01 0.135E-01
DAV: 13 -0.902197304180E+02 -0.23505E-02 -0.19885E-03 848 0.353E-01 0.720E-02
DAV: 14 -0.902228209406E+02 -0.30905E-02 -0.12814E-03 626 0.163E-01 0.608E-02
DAV: 15 -0.902246726224E+02 -0.18517E-02 -0.25874E-04 688 0.921E-02 0.456E-02
DAV: 16 -0.902261395193E+02 -0.14669E-02 -0.90377E-04 653 0.178E-01 0.399E-02
DAV: 17 -0.902267604181E+02 -0.62090E-03 -0.12634E-04 733 0.818E-02 0.264E-02
DAV: 18 -0.902270943675E+02 -0.33395E-03 -0.11484E-04 653 0.546E-02 0.813E-03
DAV: 19 -0.902272092715E+02 -0.11490E-03 -0.20561E-05 480 0.256E-02 0.646E-03
DAV: 20 -0.902272622484E+02 -0.52977E-04 -0.96170E-06 458 0.160E-02 0.759E-03
DAV: 21 -0.902273055225E+02 -0.43274E-04 -0.80286E-06 423 0.200E-02 0.332E-03
DAV: 22 -0.902273119571E+02 -0.64347E-05 -0.11094E-05 496 0.181E-02
1 F= -.90227312E+02 E0= -.90232933E+02 d E =0.168622E-01