iterations/neb0_image05_iter275_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 0.367709244553E+03 0.36771E+03 -0.14310E+04 624 0.799E+02
DAV: 2 0.419094570343E+01 -0.36352E+03 -0.35046E+03 842 0.196E+02
DAV: 3 -0.951563615706E+02 -0.99347E+02 -0.98994E+02 632 0.117E+02
DAV: 4 -0.100129063466E+03 -0.49727E+01 -0.49605E+01 704 0.306E+01
DAV: 5 -0.100229082443E+03 -0.10002E+00 -0.99973E-01 728 0.391E+00 0.222E+01
DAV: 6 -0.915710014963E+02 0.86581E+01 -0.31001E+01 680 0.299E+01 0.117E+01
DAV: 7 -0.907389920087E+02 0.83201E+00 -0.17349E+00 712 0.629E+00 0.484E+00
DAV: 8 -0.903578812169E+02 0.38111E+00 -0.55994E-01 720 0.435E+00 0.167E+00
DAV: 9 -0.902734587909E+02 0.84422E-01 -0.12414E-01 720 0.175E+00 0.449E-01
DAV: 10 -0.902656866322E+02 0.77722E-02 -0.28687E-02 728 0.945E-01 0.306E-01
DAV: 11 -0.902671614915E+02 -0.14749E-02 -0.58381E-03 680 0.397E-01 0.185E-01
DAV: 12 -0.902705481978E+02 -0.33867E-02 -0.53133E-03 618 0.444E-01 0.115E-01
DAV: 13 -0.902731993628E+02 -0.26512E-02 -0.12337E-03 648 0.214E-01 0.873E-02
DAV: 14 -0.902777288641E+02 -0.45295E-02 -0.21945E-03 630 0.243E-01 0.534E-02
DAV: 15 -0.902807313135E+02 -0.30024E-02 -0.45391E-04 709 0.139E-01 0.312E-02
DAV: 16 -0.902828747762E+02 -0.21435E-02 -0.64669E-04 658 0.127E-01 0.340E-02
DAV: 17 -0.902835776704E+02 -0.70289E-03 -0.14355E-04 880 0.891E-02 0.115E-02
DAV: 18 -0.902839674061E+02 -0.38974E-03 -0.59380E-05 664 0.378E-02 0.649E-03
DAV: 19 -0.902841785023E+02 -0.21110E-03 -0.24071E-05 535 0.241E-02 0.588E-03
DAV: 20 -0.902842322180E+02 -0.53716E-04 -0.58180E-06 512 0.149E-02 0.403E-03
DAV: 21 -0.902842638152E+02 -0.31597E-04 -0.79126E-06 400 0.155E-02 0.234E-03
DAV: 22 -0.902842657372E+02 -0.19220E-05 -0.14979E-06 536 0.726E-03
1 F= -.90284266E+02 E0= -.90292246E+02 d E =0.239404E-01