iterations/neb0_image02_iter123_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 0.367822215467E+03 0.36782E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.459012722666E+01 -0.36323E+03 -0.34866E+03 834 0.195E+02
DAV: 3 -0.955160252304E+02 -0.10011E+03 -0.99771E+02 672 0.117E+02
DAV: 4 -0.100197608425E+03 -0.46816E+01 -0.46701E+01 720 0.287E+01
DAV: 5 -0.100289319010E+03 -0.91711E-01 -0.91673E-01 728 0.359E+00 0.222E+01
DAV: 6 -0.916738895075E+02 0.86154E+01 -0.30884E+01 696 0.299E+01 0.117E+01
DAV: 7 -0.908523091555E+02 0.82158E+00 -0.18419E+00 704 0.635E+00 0.483E+00
DAV: 8 -0.904680757157E+02 0.38423E+00 -0.55777E-01 696 0.428E+00 0.169E+00
DAV: 9 -0.903790457204E+02 0.89030E-01 -0.13933E-01 704 0.166E+00 0.433E-01
DAV: 10 -0.903729299635E+02 0.61158E-02 -0.48001E-02 712 0.130E+00 0.325E-01
DAV: 11 -0.903764340578E+02 -0.35041E-02 -0.71081E-03 608 0.494E-01 0.153E-01
DAV: 12 -0.903798017929E+02 -0.33677E-02 -0.77790E-03 624 0.491E-01 0.134E-01
DAV: 13 -0.903826289552E+02 -0.28272E-02 -0.16533E-03 968 0.341E-01 0.818E-02
DAV: 14 -0.903856278703E+02 -0.29989E-02 -0.13362E-03 640 0.170E-01 0.581E-02
DAV: 15 -0.903879259304E+02 -0.22981E-02 -0.39150E-04 669 0.108E-01 0.435E-02
DAV: 16 -0.903893767515E+02 -0.14508E-02 -0.63537E-04 664 0.143E-01 0.312E-02
DAV: 17 -0.903902261675E+02 -0.84942E-03 -0.13764E-04 661 0.783E-02 0.219E-02
DAV: 18 -0.903904145897E+02 -0.18842E-03 -0.60550E-05 688 0.391E-02 0.960E-03
DAV: 19 -0.903905796717E+02 -0.16508E-03 -0.23666E-05 466 0.255E-02 0.270E-03
DAV: 20 -0.903906348946E+02 -0.55223E-04 -0.66638E-06 480 0.124E-02 0.443E-03
DAV: 21 -0.903906667842E+02 -0.31890E-04 -0.45030E-06 434 0.130E-02 0.454E-03
DAV: 22 -0.903906864353E+02 -0.19651E-04 -0.46566E-06 474 0.116E-02 0.310E-03
DAV: 23 -0.903906880898E+02 -0.16545E-05 -0.29258E-06 544 0.106E-02
1 F= -.90390688E+02 E0= -.90396646E+02 d E =0.178727E-01