iterations/neb0_image03_iter164_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 0.364726669667E+03 0.36473E+03 -0.14323E+04 632 0.799E+02
DAV: 2 0.241703535990E+00 -0.36448E+03 -0.35413E+03 869 0.195E+02
DAV: 3 -0.961581680513E+02 -0.96400E+02 -0.96102E+02 677 0.115E+02
DAV: 4 -0.100243355785E+03 -0.40852E+01 -0.40752E+01 704 0.270E+01
DAV: 5 -0.100323286793E+03 -0.79931E-01 -0.79894E-01 736 0.339E+00 0.222E+01
DAV: 6 -0.917049322385E+02 0.86184E+01 -0.30901E+01 680 0.298E+01 0.117E+01
DAV: 7 -0.908654130027E+02 0.83952E+00 -0.18177E+00 704 0.633E+00 0.483E+00
DAV: 8 -0.904687005501E+02 0.39671E+00 -0.54480E-01 704 0.425E+00 0.168E+00
DAV: 9 -0.903727995363E+02 0.95901E-01 -0.13894E-01 712 0.176E+00 0.434E-01
DAV: 10 -0.903648446595E+02 0.79549E-02 -0.42971E-02 712 0.109E+00 0.326E-01
DAV: 11 -0.903698069557E+02 -0.49623E-02 -0.10731E-02 610 0.663E-01 0.148E-01
DAV: 12 -0.903716630522E+02 -0.18561E-02 -0.30069E-03 648 0.279E-01 0.133E-01
DAV: 13 -0.903753773082E+02 -0.37143E-02 -0.31145E-03 632 0.364E-01 0.721E-02
DAV: 14 -0.903792271610E+02 -0.38499E-02 -0.10711E-03 669 0.169E-01 0.629E-02
DAV: 15 -0.903811935648E+02 -0.19664E-02 -0.44940E-04 656 0.150E-01 0.257E-02
DAV: 16 -0.903830283730E+02 -0.18348E-02 -0.45013E-04 701 0.116E-01 0.331E-02
DAV: 17 -0.903836443155E+02 -0.61594E-03 -0.90088E-05 728 0.766E-02 0.170E-02
DAV: 18 -0.903840878697E+02 -0.44355E-03 -0.98552E-05 658 0.523E-02 0.108E-02
DAV: 19 -0.903843138499E+02 -0.22598E-03 -0.26106E-05 533 0.321E-02 0.484E-03
DAV: 20 -0.903844345382E+02 -0.12069E-03 -0.14286E-05 456 0.171E-02 0.299E-03
DAV: 21 -0.903844898908E+02 -0.55353E-04 -0.78897E-06 477 0.118E-02 0.116E-03
DAV: 22 -0.903845068611E+02 -0.16970E-04 -0.31939E-06 456 0.728E-03 0.175E-03
DAV: 23 -0.903845085167E+02 -0.16556E-05 -0.60990E-07 544 0.511E-03
1 F= -.90384509E+02 E0= -.90393372E+02 d E =0.265900E-01