iterations/neb0_image03_iter108_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 0.367087107784E+03 0.36709E+03 -0.14322E+04 632 0.799E+02
DAV: 2 0.338765316425E+01 -0.36370E+03 -0.35032E+03 837 0.195E+02
DAV: 3 -0.955936999503E+02 -0.98981E+02 -0.98664E+02 664 0.116E+02
DAV: 4 -0.100193241117E+03 -0.45995E+01 -0.45899E+01 712 0.288E+01
DAV: 5 -0.100284740115E+03 -0.91499E-01 -0.91461E-01 736 0.362E+00 0.223E+01
DAV: 6 -0.916812163867E+02 0.86035E+01 -0.30635E+01 685 0.296E+01 0.116E+01
DAV: 7 -0.908317385416E+02 0.84948E+00 -0.18301E+00 704 0.641E+00 0.483E+00
DAV: 8 -0.904279194440E+02 0.40382E+00 -0.57064E-01 688 0.437E+00 0.167E+00
DAV: 9 -0.903330722465E+02 0.94847E-01 -0.13229E-01 704 0.184E+00 0.460E-01
DAV: 10 -0.903245116749E+02 0.85606E-02 -0.39193E-02 728 0.102E+00 0.336E-01
DAV: 11 -0.903270964919E+02 -0.25848E-02 -0.68401E-03 736 0.588E-01 0.137E-01
DAV: 12 -0.903292465759E+02 -0.21501E-02 -0.36192E-03 626 0.325E-01 0.113E-01
DAV: 13 -0.903341550831E+02 -0.49085E-02 -0.29939E-03 632 0.326E-01 0.831E-02
DAV: 14 -0.903383600596E+02 -0.42050E-02 -0.91929E-04 661 0.179E-01 0.466E-02
DAV: 15 -0.903402290940E+02 -0.18690E-02 -0.41483E-04 728 0.111E-01 0.252E-02
DAV: 16 -0.903417598193E+02 -0.15307E-02 -0.13677E-04 661 0.674E-02 0.111E-02
DAV: 17 -0.903427337341E+02 -0.97391E-03 -0.10614E-04 608 0.390E-02 0.745E-03
DAV: 18 -0.903430140548E+02 -0.28032E-03 -0.32544E-05 600 0.263E-02 0.495E-03
DAV: 19 -0.903431058131E+02 -0.91758E-04 -0.60459E-06 466 0.119E-02 0.218E-03
DAV: 20 -0.903431458447E+02 -0.40032E-04 -0.59743E-06 434 0.934E-03 0.164E-03
DAV: 21 -0.903431583692E+02 -0.12524E-04 -0.14355E-06 472 0.519E-03 0.451E-04
DAV: 22 -0.903431628104E+02 -0.44413E-05 -0.79232E-07 426 0.313E-03
1 F= -.90343163E+02 E0= -.90351696E+02 d E =0.255997E-01