iterations/neb0_image03_iter250_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 0.363240837997E+03 0.36324E+03 -0.14323E+04 632 0.799E+02
DAV: 2 0.929498606507E+00 -0.36231E+03 -0.35204E+03 842 0.195E+02
DAV: 3 -0.960449829443E+02 -0.96974E+02 -0.96666E+02 669 0.115E+02
DAV: 4 -0.100296896518E+03 -0.42519E+01 -0.42416E+01 712 0.277E+01
DAV: 5 -0.100379405573E+03 -0.82509E-01 -0.82482E-01 736 0.347E+00 0.223E+01
DAV: 6 -0.917167745609E+02 0.86626E+01 -0.31328E+01 669 0.299E+01 0.117E+01
DAV: 7 -0.908800615459E+02 0.83671E+00 -0.17900E+00 720 0.633E+00 0.484E+00
DAV: 8 -0.904893381571E+02 0.39072E+00 -0.55196E-01 704 0.424E+00 0.169E+00
DAV: 9 -0.903977198296E+02 0.91618E-01 -0.13230E-01 712 0.167E+00 0.434E-01
DAV: 10 -0.903912766564E+02 0.64432E-02 -0.46434E-02 704 0.117E+00 0.331E-01
DAV: 11 -0.903958798284E+02 -0.46032E-02 -0.83235E-03 624 0.633E-01 0.120E-01
DAV: 12 -0.903986636184E+02 -0.27838E-02 -0.43606E-03 632 0.315E-01 0.111E-01
DAV: 13 -0.904031573041E+02 -0.44937E-02 -0.16407E-03 687 0.262E-01 0.873E-02
DAV: 14 -0.904061850584E+02 -0.30278E-02 -0.10716E-03 664 0.150E-01 0.480E-02
DAV: 15 -0.904084917810E+02 -0.23067E-02 -0.37603E-04 677 0.998E-02 0.236E-02
DAV: 16 -0.904098337783E+02 -0.13420E-02 -0.21923E-04 669 0.713E-02 0.212E-02
DAV: 17 -0.904104179792E+02 -0.58420E-03 -0.91126E-05 744 0.588E-02 0.102E-02
DAV: 18 -0.904106749694E+02 -0.25699E-03 -0.42374E-05 594 0.322E-02 0.114E-02
DAV: 19 -0.904107404570E+02 -0.65488E-04 -0.10063E-05 504 0.244E-02 0.570E-03
DAV: 20 -0.904108069776E+02 -0.66521E-04 -0.20575E-05 506 0.249E-02 0.526E-03
DAV: 21 -0.904108508710E+02 -0.43893E-04 -0.81074E-06 469 0.213E-02 0.221E-03
DAV: 22 -0.904108607142E+02 -0.98431E-05 -0.29362E-06 512 0.810E-03
1 F= -.90410861E+02 E0= -.90418778E+02 d E =0.237504E-01